![]() ![]() | Nguyen, V. D., Wu, L., Remacle, F., & Noels, L. (2025). Resolution of elasto-plastic finite-elements problems by quantum annealing (Plenary) [Paper presentation]. 2025 Advances in Applied Mechanics Conference, Meloneras, Spain. |
![]() ![]() | Hamilton, J., Levine, R. D., & Remacle, F. (23 December 2024). Constructing Dynamical Symmetries for Quantum Computing: Applications to Coherent Dynamics in Coupled Quantum Dots. Nanomaterials, 14 (24), 2056. doi:10.3390/nano14242056 ![]() |
![]() ![]() | Cardosa-Gutierrez, M. A., Levine, R. D., & Remacle, F. (12 July 2024). Electronic coherences built by an attopulse control the forces on the nuclei. Journal of Physics : B Atomic Molecular and Optical Physics, 57 (13), 133501. doi:10.1088/1361-6455/ad4fd3 ![]() |
![]() ![]() | Nguyen, V. D., Wu, L., Damanet, F., Remacle, F., & Noels, L. (04 June 2024). Introduction to quantum computing and non-linear finite-element (re)formulation for quantum annealing [Paper presentation]. 9th European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS 2024), Lisboa, Portugal. ![]() |
![]() ![]() | Nguyen, V. D., Wu, L., Remacle, F., & Noels, L. (01 May 2024). A quantum annealing-sequential quadratic programming assisted finite element simulation for non-linear and history-dependent mechanical problems. European Journal of Mechanics. A, Solids, 105, 105254. doi:10.1016/j.euromechsol.2024.105254 ![]() |
![]() ![]() | Cardosa-Gutierrez, M. A., Levine, R. D., & Remacle, F. (2024). Electronic Coherences Excited by an Ultra Short Pulse Are Robust with Respect to Averaging over Randomly Oriented Molecules as Shown by Singular Value Decomposition. Journal of Physical Chemistry. A. doi:10.1021/acs.jpca.3c07856 ![]() |
![]() ![]() | Gelfand, N., Komarova, K., Remacle, F., & Levine, R. D. (24 January 2024). Nonadiabatic quantum dynamics explores non-monotonic photodissociation branching of N2 into the N(4S) + N(2D) and N(4S) + N(2P) product channels. Physical Chemistry Chemical Physics, 26 (4), 3274 - 3284. doi:10.1039/d3cp04854c ![]() |
![]() ![]() | Blavier, M., Gelfand, N., Levine, R. D., & Remacle, F. (2024). Controlling the Time Evolution of Electron-Nuclei Entanglement for Steering Vibronic Coherences Dynamics Induced by Short 1–2 fs Optical Pulses. In L. Argenti, M. Chini, ... L. Fang (Eds.), Proceedings of the 8th International Conference on Attosecond Science and Technology (pp. 83-100). Springer Science and Business Media Deutschland GmbH. doi:10.1007/978-3-031-47938-0_9 ![]() |
![]() ![]() | Hamilton, J., Amarotti, E., Dibenedetto, C. N., Striccoli, M., Levine, R. D., Collini, E., & Remacle, F. (18 July 2023). Time-Frequency Signatures of Electronic Coherence of Colloidal CdSe Quantum Dot Dimer Assemblies Probed at Room Temperature by Two-Dimensional Electronic Spectroscopy. Nanomaterials (Basel, Switzerland), 13 (14), 2096. doi:10.3390/nano13142096 ![]() |
![]() ![]() | Gelfand, N., Remacle, F., & Levine, R. D. (February 2023). Ultrafast charge migration in the laser induced dynamics of LiH validated by a computation-free isotope effect. Chemical Physics Letters, 813, 140318. doi:10.1016/j.cplett.2023.140318 ![]() |
![]() ![]() | Remacle, F., Levine, R., Collini, E., Hamilton, J., Dibenedetto, C., Striccoli, M., & Amarotti, E. (2023). Direct time-frequency response of electronic coherences in assemblies of colloidal CdSe quantum dot dimers probed at room temperature by 2-dimensional electronic spectroscopy. ORBi-University of Liège. https://orbi.uliege.be/handle/2268/299615. doi:10.26434/chemrxiv-2023-sc931 |
![]() ![]() | Gelfand, N., Komarova, K., Remacle, F., & Levine, R. D. (2023). Photodissociation via weak intersystem crossing: Incoherent versus coherent excited-state nonadiabatic dynamics in N2. Physical Review. A, 108 (5). doi:10.1103/PhysRevA.108.053116 ![]() |
![]() ![]() | Gelfand, N., Komarova, K., Remacle, F., & Levine, R. D. (2023). On the Energy-specific Photodissociation Pathways of 14N2 and 14N15N Isotopomers to N Atoms of Different Reactivity: A Quantum Dynamical Perspective. Astrophysical Journal, 948 (1), 58. doi:10.3847/1538-4357/acbef8 ![]() |
![]() ![]() | Gelfand, N., Komarova, K., Remacle, F., & Levine, R. D. (2023). Nonadiabatic dynamics in a forest of coupled states: Electronic state branching in the VUV photodissociation of N2. Journal of Chemical Physics, 158 (16), 164302. doi:10.1063/5.0148798 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2023). A Quantum Information Processing Machine for Computing by Observables. Proceedings of the National Academy of Sciences of the United States of America, 120 (10), 2220069120. doi:10.1073/pnas.2220069120 ![]() |
![]() ![]() | Cardosa-Gutierrez, M. A., De Bo, G., Duwez, A.-S., & Remacle, F. (2023). Bond breaking of furan-maleimide adducts via a diradical sequential mechanism under an external mechanical force. Chemical Science. doi:10.1039/d2sc05051j ![]() |
![]() ![]() | Gelfand, N., Remacle, F., & Levine, R. D. (2023). Recombination of N Atoms in a Manifold of Electronic States Simulated by Time-Reversed Nonadiabatic Photodissociation Dynamics of N2. Journal of Physical Chemistry Letters, 4625-4630. doi:10.1021/acs.jpclett.3c00666 ![]() |
![]() ![]() | Lucchini, M., Mignolet, B., Murari, M., Gonçalves, C., Lucarelli, G. D., Frassetto, F., Poletto, L., Remacle, F., & Nisoli, M. (08 December 2022). Few-Femtosecond C2H4+ Internal Relaxation Dynamics Accessed by Selective Excitation. Journal of Physical Chemistry Letters, 13 (48), 11169 - 11175. doi:10.1021/acs.jpclett.2c02763 ![]() |
![]() ![]() | Blavier, M., Gelfand, N., Levine, R. D., & Remacle, F. (2022). Entanglement of electrons and nuclei during ultrafast excitation: A most compact representation of the molecular wave function. Chemical Physics Letters, 139885. doi:10.1016/j.cplett.2022.139885 ![]() |
![]() ![]() | Blavier, M., Levine, R. D., & Remacle, F. (2022). Time Evolution of Entanglement of Electrons and Nuclei and Partial Traces in Ultrafast Photochemistry. Physical Chemistry Chemical Physics, 24 (29), 17516-17525. doi:10.1039/d2cp01440h ![]() |
![]() ![]() | Hamilton, J., Amarotti, E., Dibenedetto, C., Striccoli, M., Levine, R. D., Collini, E., & Remacle, F. (2022). Harvesting a wide spectral range of electronic coherences with disordered quasi-homo dimeric assemblies at room temperature. Advanced Quantum Technologies, 2022, 2200060. doi:10.1002/qute.202200060 ![]() |
![]() ![]() | Cardosa-Gutierrez, M. A., Bo, G. D., Duwez, A.-S., & Remacle, F. (2022). Steering the Mechanism of the Furan-Maleimide Retro-Diels-Alder Reaction to a Sequential Pathway with an External Mechanical Force. ORBi-University of Liège. https://orbi.uliege.be/handle/2268/292972. |
![]() ![]() | Blavier, M., Komarova, K., Gonçalves, C., Levine, R. D., & Remacle, F. (2021). Electronic Coherences Steer the Strong Isotope Effect in the Ultrafast Jahn–Teller Structural Rearrangement of Methane Cation upon Tunnel Ionization. Journal of Physical Chemistry. A. doi:10.1021/acs.jpca.1c06431 ![]() |
![]() ![]() | Komarova, K., Remacle, F., & Levine, R. (2021). Compacting the density matrix in quantum dynamics: Singular value decomposition of the surprisal and the dominant constraints for anharmonic systems. The Journal of Chemical Physics. doi:10.1063/5.0072351 ![]() |
![]() ![]() | Zhou, Z., Wang, J., Levine, R. D., Remacle, F., & Willner, I. (2021). DNA-based constitutional dynamic networks as functional modules for logic gates and computing circuit operations. Chemical Science, 12 (15), 5473-5483. doi:10.1039/D1SC01098K ![]() |
![]() ![]() | Gonçalves, C., Levine, R. D., & Remacle, F. (2021). Ultrafast geometrical reorganization of a methane cation upon sudden ionization: an isotope effect on electronic non-equilibrium quantum dynamics. Physical Chemistry Chemical Physics, 23 (21), 12051-12059. doi:10.1039/D1CP01029H ![]() |
![]() ![]() | Kanno, M., Mignolet, B., Remacle, F., & Kono, H. (2021). Identification of an ultrafast internal conversion pathway of pyrazine by time-resolved vacuum ultraviolet photoelectron spectrum simulations. Journal of Chemical Physics, 154 (22), 224304. doi:10.1063/5.0048900 ![]() |
![]() ![]() | Komarova, K., Remacle, F., & Levine, R. D. (2021). The density matrix via few dominant observables: The quantum interference in the isotope effect for atto-pumped N2. Journal of Chemical Physics, 155 (2), 024109. doi:10.1063/5.0053784 ![]() |
![]() ![]() | Remacle, F. (2021). Steering Nuclear Motion by Ultrafast Multistate Non Equilibrium Electronic Quantum Dynamics in Atto Excited Molecules. In 2021 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics Conference, CLEO/Europe-EQEC 2021. Institute of Electrical and Electronics Engineers Inc. doi:10.1109/CLEO/Europe-EQEC52157.2021.9542616 ![]() |
![]() ![]() | Collini, E., Gattuso, H., Levine, R. D., & Remacle, F. (2021). Ultrafast fs coherent excitonic dynamics in CdSe quantum dots assemblies addressed and probed by 2D electronic spectroscopy. Journal of Chemical Physics, 154 (1), 014301. doi:10.1063/5.0031420 ![]() |
![]() ![]() | Basnayake, G., Hoerner, P., Mignolet, B., Lee, M. K., Lin, Y. F., Winney, A. H., Debrah, D. A., Popaj, L., Shi, X., Lee, S. K., Schlegel, H. B., Remacle, F., & Li, W. (2021). Ellipticity controlled dissociative double ionization of ethane by strong fields. Physical Chemistry Chemical Physics, 23 (41), 23537-23543. doi:10.1039/D1CP03585A ![]() |
![]() ![]() | Rukin, P. S., Komarova, K. G., Fresch, B., Collini, E., & Remacle, F. (2020). Chirality of a rhodamine heterodimer linked to a DNA scaffold: an experimental and computational study. Physical Chemistry Chemical Physics, 22 (14), 7516-7523. doi:10.1039/d0cp00223b ![]() |
![]() ![]() | Gattuso, H., Fresch, B., Levine, D. R., & Remacle, F. (2020). Coherent Exciton Dynamics in Ensembles of Size-Dispersed CdSe Quantum Dot Dimers Probed via Ultrafast Spectroscopy: A Quantum Computational Study. Applied Sciences, 10 (4), 1328. doi:10.3390/app10041328 ![]() |
![]() ![]() | Remacle, F., Graeber, T. G., & Levine, R. D. (2020). Thermodynamic energetics underlying genomic instability and whole-genome doubling in cancer. Proceedings of the National Academy of Sciences of the United States of America, 117 (31), 18880. doi:10.1073/pnas.1920870117 ![]() |
![]() ![]() | Komarova, K., Gattuso, H., Levine, R. D., & Remacle, F. (2020). Parallel Quantum Computation of Vibrational Dynamics. Frontiers in Physics, 8, 486. doi:10.3389/fphy.2020.590699 ![]() |
![]() ![]() | Komarova, K., Gattuso, H., Levine, R. D., & Remacle, F. (2020). Quantum Device Emulates the Dynamics of Two Coupled Oscillators. Journal of Physical Chemistry Letters, 11, 6990-6995. doi:10.1021/acs.jpclett.0c01880 ![]() |
![]() ![]() | Valentini, A., van den Wildenberg, S., & Remacle, F. (2020). Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure. Physical Chemistry Chemical Physics, 22 (39), 22302-22313. doi:10.1039/D0CP03435E ![]() |
![]() ![]() | Collini, E., Gattuso, H., Kolodny, Y., Bolzonello, L., Volpato, A., Fridman, H. T., Yochelis, S., Mor, M., Dehnel, J., Lifshitz, E., Paltiel, Y., Levine, R. D., & Remacle, F. (2020). Room-Temperature Inter-Dot Coherent Dynamics in Multilayer Quantum Dot Materials. Journal of Physical Chemistry. C, Nanomaterials and interfaces. doi:10.1021/acs.jpcc.0c05572 ![]() |
![]() ![]() | Gattuso, H., Levine, R. D., & Remacle, F. (2020). Massively parallel classical logic via coherent dynamics of an ensemble of quantum systems with dispersion in size. Proceedings of the National Academy of Sciences of the United States of America, 117 (35), 21022. doi:10.1073/pnas.2008170117 ![]() |
![]() ![]() | Komarova, K. G., van den Wildenberg, S., Remacle, F., & Levine, R. D. (2020). Correlated electron–nuclear motion during non-adiabatic transitions in LiH and its isotopomers. Journal of Physics : B Atomic Molecular and Optical Physics, 53 (13), 134001. doi:10.1088/1361-6455/ab84c7 ![]() |
![]() ![]() | Komarova, K., Remacle, F., & Levine, R. D. (2020). Surprisal of a quantum state: Dynamics, compact representation, and coherence effects. Journal of Chemical Physics, 153 (21), 214105. doi:10.1063/5.0030272 ![]() |
![]() ![]() | Emonds-Alt, G.* , Mignolet, B.* , Malherbe, C., Monbaliu, J.-C., Remacle, F., & Eppe, G. (2019). Understanding chemical interaction between phosphonate-derivative molecules and silver surface cluster in SERS: a combined experimental and computational approach. Physical Chemistry Chemical Physics. doi:10.1039/C9CP01615E ![]() * These authors have contributed equally to this work. |
![]() ![]() | Bogaert, K. A., Perez, E., Rumin, J., Giltay, A., Carone, M., Coosemans, N., Radoux, M., Eppe, G., Levine, R. D., Remacle, F., & Remacle, C. (2019). Metabolic, physiological, and transcriptomics analysis of batch cultures of the green microalga Chlamydomonas grown on different acetate concentrations. Cells, 8, 367. doi:10.3390/cells8111367 ![]() |
![]() ![]() | Komarova, K. G., Remacle, F., & Levine, R. D. (2019). Time resolved mechanism of the isotope selectivity in the ultrafast light induced dissociation in N2. Journal of Chemical Physics, 151 (11). doi:10.1063/1.5118990 ![]() |
![]() ![]() | Collini, E., Gattuso, H., Bolzonello, L., Casotto, A., Volpato, A., Dibenedetto, C. N., Fanizza, E., Striccoli, M., & Remacle, F. (2019). Quantum Phenomena in Nanomaterials: Coherent Superpositions of Fine Structure States in CdSe Nanocrystals at Room Temperature. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.9b11153 ![]() |
van den Wildenberg, S., Mignolet, B., Levine, R. D., & Remacle, F. (2019). Probing the evolution of electronic coherence induced by CEP-controlled ultrashort IR pulse using VMI and ATAS [Paper presentation]. Invited seminar at the Max-Born Institute for Non-Linear Optics and short pulse spectroscopy, Berlin, Germany. |
van den Wildenberg, S., Komarova, K. G., Remacle, F., & Levine, R. D. (2019). Enhancing the non-adiabatic transfer with heavier isotopomers: Effect of mass in the ultrafast electron-nuclear dynamics in LiH induced by few-cycle IR pulses [Poster presentation]. International workshop on atomic physics: "Ultrafast chirality and topology of light and matter", Dresden, Germany. |
![]() ![]() | van den Wildenberg, S., Mignolet, B., Levine, R. D., & Remacle, F. (2019). Temporal and spatially resolved imaging of the correlated nuclear-electronic dynamics and of the ionized photoelectron in a coherently electronically highly excited vibrating LiH molecule. Journal of Chemical Physics, 151 (13), 134310. doi:10.1063/1.5116250 ![]() |
![]() ![]() | Stefanou, M., Chandler, H. J., Mignolet, B., Williams, E., Nanoh, S. A., Thompson, J. O. F., Remacle, F., Schaub, R., & Campbell, E. E. B. (2019). Angle-resolved photoelectron spectroscopy and scanning tunnelling spectroscopy studies of the endohedral fullerene Li@C60. Nanoscale, 10.1039/C8NR07088A. doi:10.1039/C8NR07088A ![]() |
![]() ![]() | Mignolet, B., Curchod, B. F. E., Remacle, F., & Martinez, T. (2019). Sub-femtosecond stark control of molecular photoexcitation with near single-cycle pulses. Journal of Physical Chemistry Letters, 10 (4), 742-747. doi:10.1021/acs.jpclett.8b03814 ![]() |
![]() ![]() | Yue, L., Wang, S., Wulf, V., Lilienthal, S., Remacle, F., Levine, R. D., & Willner, I. (2019). Consecutive feedback-driven constitutional dynamic networks. Proceedings of the National Academy of Sciences of the United States of America, 116 (8), 2843-2848. doi:10.1073/pnas.1816670116 ![]() |
![]() ![]() | Johnston, H. E., Dickinson, P., Ivens, A. C., Buck, A. H., Levine, R. D., Remacle, F., & Campbell, C. J. (2019). Intracellular redox potential is correlated with miRNA expression in MCF7 cells under hypoxic conditions. Proceedings of the National Academy of Sciences of the United States of America, 116 (39), 19753-19759. doi:10.1073/pnas.1909455116 ![]() |
![]() ![]() | Reznychenko, B., Paltiel, Y., Remacle, F., Striccoli, M., Mazer, E., Coden, M., Collini, E., Dibenedetto, C. N., Donval, A., Fresch, B., Gattuso, H., & Gross, N. (2019). An n-Bit adder realized via coherent optical parallel computing. In Proceedings of the 4th IEEE International Conference on Rebooting Computing, ICRC 2019 (pp. 8914703). Piscataway, United States - New Jersey: Institute of Electrical and Electronics Engineers Inc. doi:10.1109/ICRC.2019.8914703 ![]() |
![]() ![]() | Kosloff, R., Rabani, E., & Remacle, F. (2018). This special thematic issue of chemical physics ‘Energy and entropy of change: From elementary processes to biology’ celebrates the 80th birthday of Prof. Raphael D. Levine, known as Raphy. Chemical Physics, 514, 1-3. doi:10.1016/j.chemphys.2018.08.052 ![]() |
![]() ![]() | Cohen, E., Komm, P., Rosenthal-Strauss, N., Dehnel, J., Lifshitz, E., Yochelis, S., Levine, R. D., Remacle, F., Fresch, B., Marcus, G., & Paltiel, Y. (2018). Fast Energy Transfer in CdSe Quantum Dot Layered Structures: Controlling Coupling with Covalent-Bond Organic Linkers. Journal of Physical Chemistry C, 122, 5753-5758. doi:10.1021/acs.jpcc.7b11799 ![]() |
![]() ![]() | Yue, L., Wang, S., Lilienthal, S., Wulf, V., Remacle, F., Levine, R. D., & Willner, I. (2018). Intercommunication of DNA-Based Constitutional Dynamic Networks. Journal of the American Chemical Society, 140 (28), 8721-8731. doi:10.1021/jacs.8b03450 ![]() |
van den Wildenberg, S., Mignolet, B., Remacle, F., & Levine, R. D. (2018). Ultrafast photo-induced coupled coherent electornic-nuclear dynamics in small molecules [Poster presentation]. Gordon Research Conference on Photoionization and Photodetachement, Galveston, United States - Texas. |
van den Wildenberg, S., Mignolet, B., Roncero-Villa, O., & Remacle, F. (2018). Ultrafast light-induced coupled electronic-nuclear dynamics in HCN-HNC isomers [Paper presentation]. 256th ACS National meeting, Boston, United States - Massachusetts. |
van den Wildenberg, S., Mignolet, B., Levine, R. D., & Remacle, F. (2018). Partitioning method applied to the computation of coupled electronic-nuclear dynamics in LiH induced by strong pulses including photoionization [Paper presentation]. 256th ACS National meeting, Boston, United States - Massachusetts. |
van den Wildenberg, S., Mignolet, B., & Remacle, F. (2018). Ultrafast dynamics of LiH molecule induced by ultrashort optical pulses. Influence of photoionization on the electronic coherence [Paper presentation]. Journée de l'école doctorale METAMORPHOSE, Louvain-La-Neuve, Belgium. |
![]() ![]() | Bogaert, K. A., Manoharan-Basil, S. S., Perez, E., Levine, R. D., Remacle, F., & Remacle, C. (2018). Surprisal analysis of genome-wide transcript profiling identifies differentially expressed genes and pathways associated with four growth conditions in the microalga Chlamydomonas. PLoS ONE, 13 (4). doi:10.1371/journal.pone.0195142 ![]() |
![]() ![]() | Ajay, J. S., Komarova, K. G., Remacle, F., & Levine, R. D. (2018). Time-dependent view of an isotope effect in electron-nuclear nonequilibrium dynamics with applications to N2. Proceedings of the National Academy of Sciences of the United States of America. doi:10.1073/pnas.1804455115 ![]() |
![]() ![]() | Fresch, B., Yan, T.-M., Hiluf, D., Collini, E., Levine, R. D., & Remacle, F. (2018). Computing by Non-linear Optical Molecular Response. In S. Stepney, S. Rasmussen, ... M. Amos (Eds.), Computational Matter (pp. 45-53). Cham, Germany: Springer International Publishing. doi:10.1007/978-3-319-65826-1_4 |
![]() ![]() | Fresch, B., Klymenko, M. V., Levine, R. D., Remacle, F., Stepney, S., Rasmussen, S., & Amos, M. (2018). Multivalued Logic at the Nanoscale. In S. Stepney, S. Rasmussen, ... M. Amos (Eds.), Computational Matter (pp. 295-318). Cham, Germany: Springer International Publishing. doi:10.1007/978-3-319-65826-1_15 |
![]() ![]() | Komarova, K. G., Remacle, F., & Levine, R. D. (2018). On the fly quantum dynamics of electronic and nuclear wave packets. Chemical Physics Letters, 699, 155-161. doi:10.1016/j.cplett.2018.03.050 ![]() |
![]() ![]() | Willamme, R., Bogaert, K. A., Remacle, F., & Remacle, C. (2018). Surprisal analysis of the transcriptomic response of the green microalga Chlamydomonas to the addition of acetate during day/night cycles. Chemical Physics. doi:10.1016/j.chemphys.2018.04.015 ![]() |
![]() ![]() | Jayantha, S. A., Komarova, K. G., van den Wildenberg, S., Remacle, F., & Levine, R. D. (2018). AttoPhotoChemistry: Coherent Electronic Dynamics and Nuclear Motion. In M. Vrakking & F. Lépine (Eds.), Attosecond Molecular Dynamics (pp. 308-347). Cambridge, United Kingdom: Royal Society of Chemistry. doi:10.1039/9781788012669-00308 ![]() |
van den Wildenberg, S., Mignolet, B., & Remacle, F. (2018). Ultrafast dynamics of LiH molecule induced by ultrashort optical pulses . Influence of photoionization on the electronic coherence [Poster presentation]. Journée de l'école doctorale METAMORPHOSE, Louvain-La-Neuve, Belgium. |
![]() ![]() | Vasudevan, S., Flashner-Abramson, E., Remacle, F., Levine, R. D., & Kravchenko-Balasha, N. (2018). Personalized disease signatures through information-theoretic compaction of big cancer data. Proceedings of the National Academy of Sciences of the United States of America, 115 (30), 7694-7699. doi:10.1073/pnas.1804214115 ![]() |
![]() ![]() | Willamme, R., Bogaert, K. A., Remacle, F., & Remacle, C. (2018). RNA-seq data and surprisal analysis of icl mutant and control strain of the green microalga Chlamydomonas reinhardtii during day/night cycles. Data in Brief, 21, 351-353. doi:10.1016/j.dib.2018.09.104 ![]() |
![]() ![]() | Greisch, J.-F., Ballester-Caudet, A., Kruppa, S. V., Lei, Z., Wang, Q.-M., Riehn, C., & Remacle, F. (2018). Gas-Phase Photoluminescence and Photodissociation of Silver-Capped Hexagold Clusters. Journal of Physical Chemistry. A, 122 (27), 5799-5810. doi:10.1021/acs.jpca.8b01864 ![]() |
![]() ![]() | Mignolet, B., Kanno, M., Shimakura, N., Koseki, S., Remacle, F., Kono, H., & Fujimura, Y. (2018). Ultrafast nonradiative transition pathways in photo-excited pyrazine: Ab initio analysis of time-resolved vacuum ultraviolet photoelectron spectrum. Chemical Physics. doi:10.1016/j.chemphys.2018.07.015 ![]() |
![]() ![]() | Emonds-Alt, G., Mignolet, B., Malherbe, C., Monbaliu, J.-C., Remacle, F., & Eppe, G. (2018). A combined study of the binding of Glyphosate on silver nanoparticles and implications for SERS [Poster presentation]. Journée de département 2018. |
![]() ![]() | Komarova, K. G., Remacle, F., & Levine, R. D. (2018). Propagation of nonstationary electronic and nuclear states: attosecond dynamics in LiF. Molecular Physics, 1-9. doi:10.1080/00268976.2018.1451932 ![]() |
![]() ![]() | Remacle, F., Levine, R. D., Klymenko, M., Gonzalez-Zalba, F., Kaxiras, S., & Sjalander, M. (12 December 2017). Logic Circuit. |
![]() ![]() | Hanozin, E., Mignolet, B., Morsa, D., Sluysmans, D., Duwez, A.-S., Stoddart, J. F., Remacle, F., & De Pauw, E. (October 2017). Where Ion Mobility and Molecular Dynamics Meet to Unravel the (Un)Folding Mechanisms of an Oligorotaxane Molecular Switch. ACS Nano, 11 (10), 10253-10263. doi:10.1021/acsnano.7b04833 ![]() |
Hanozin, E., Mignolet, B., Morsa, D., Sluysmans, D., Duwez, A.-S., Stoddart, J. F., Remacle, F., & De Pauw, E. (June 2017). Coulombic driven multi-conformational aspects of oligorotaxane switches studied by ion mobility mass spectrometry and molecular dynamics [Paper presentation]. 65th ASMS Conference on Mass Spectrometry and Allied Topics, Indianapolis, United States. |
![]() ![]() | Xiong, H., Mignolet, B., Fang, L., Osipov, T., Wolf, T. J. A., Sistrunk, E., Gühr, M., Remacle, F., & Berrah, N. (08 February 2017). The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field. Scientific Reports, 7, 121. doi:10.1038/s41598-017-00124-9 ![]() |
![]() ![]() | Nikodem, A., Levine, R. D., & Remacle, F. (2017). Controlling coherent quantum nuclear dynamics in LiH by ultra short IR atto pulses. In K. Yamanouchi, W. Hill, ... F. G. Paulus (Eds.), Progress in Ultrafast Intense Laser Science XIII (pp. 41-65). Dordrecht, Netherlands: Springer. doi:10.1007/978-3-319-64840-8_3 ![]() |
![]() ![]() | Bohl, E.* , Mignolet, B.* , Johansson, J. O., Remacle, F., & Campbell, E. E. B. (2017). Low-lying, Rydberg states of polycyclic aromatic hydrocarbons (PAHs) and cyclic alkanes. Physical Chemistry Chemical Physics, 19 (35), 24090-24099. doi:10.1039/c7cp03913a ![]() * These authors have contributed equally to this work. |
![]() ![]() | Berrah, N., Xiong, H., Mignolet, B., Fang, L., Osipov, T., Wolf, T. J. A., Sistrunk, E., Gühr, M., Remacle, F., Hodgman, S., Bray, A., Kheifets, A., & Machacek, J. (2017). The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field. Journal of Physics. Conference Series, 875 (4). doi:10.1088/1742-6596/875/4/032017 ![]() |
![]() ![]() | Emonds-Alt, G., Mignolet, B., Malherbe, C., Monbaliu, J.-C., Remacle, F., & Eppe, G. (2017). Molecular modeling as a tool to understand the interaction bewteen glyhposate and nanoparticles for SERS application [Poster presentation]. Journée de département 2017. |
![]() ![]() | Lilienthal, S., Orbach, R., Willner, I., Remacle, F., & Levine, R. D. (2017). Continuous variables logic via coupled automata using a DNAzyme cascade with feedback. Chemical Science, 8, 2161-2168. doi:10.1039/C6SC03892A ![]() |
![]() ![]() | Fresch, B., Remacle, F., & Levine, R. D. (2017). Implementation of probabilistic algorithms by multi-chromophoric molecular networks with application to multiple travelling pathways. Chemphyschem: A European Journal of Chemical Physics and Physical Chemistry, 18, 1782-1789. doi:10.1002/cphc.201700228 ![]() |
van den Wildenberg, S., Mignolet, B., Levine, R. D., & Remacle, F. (2017). Pumping and probing vibrational modulated coupled electronic coherence in HCN [Poster presentation]. Journée du département de Chimie, Liège, Belgium. |
![]() ![]() | Peters, W. K., Couch, D. E., Mignolet, B., Shi, X., Nguyen, Q. L., Fortenberry, R. C., Schlegel, H. B., Remacle, F., Kapteyn, H. C., Murnane, M. M., & Li, W. (2017). Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling. Proceedings of the National Academy of Sciences of the United States of America. doi:10.1073/pnas.1712566114 ![]() |
![]() ![]() | Schwanen, V., & Remacle, F. (2017). Photoinduced Ultrafast Charge Transfer and Charge Migration in Small Gold Clusters Passivated by a Chromophoric Ligand. Nano Letters, 17 (9), 5672-5681. doi:10.1021/acs.nanolett.7b02568 ![]() |
![]() ![]() | Fan, L., Lee, S. K., Tu, Y.-J., Mignolet, B., Couch, D., Dorney, K., Nguyen, Q., Wooldridge, L., Murnane, M., Remacle, F., Schlegel, H. B., & Li, W. (2017). A new electron-ion coincidence 3D momentum-imaging method and its application in probing strong field dynamics of 2-phenylethyl-N, N-dimethylamine. Journal of Chemical Physics, 147, 013920. doi:10.1063/1.4981526 ![]() |
![]() ![]() | Mignolet, B., Campbell, E., & Remacle, F. (2017). Optical activity of the super-atom molecular orbital (SAMO) states in Li@C60+ conformers. AIP Conference Proceedings. doi:10.1063/1.5012307 ![]() |
van den Wildenberg, S., Mignolet, B., Remacle, F., & Levine, R. D. (2017). Pumping and probing vibrational modulated coupled electronic coherence in HCN [Paper presentation]. Journée du département de Chimie. |
![]() ![]() | Nikodem, A., Levine, R. D., & Remacle, F. (2017). Spatial and temporal control of populations, branching ratios, and electronic coherences in LiH by a single one-cycle infrared pulse. Physical Review. A, General Physics, 95 (5), 053404. doi:10.1103/PhysRevA.95.053404 ![]() |
![]() ![]() | Remacle, F., Goldstein, S. A., & Levine, D. R. (2017). Multivariate Surprisal Analysis of Gene Expression Levels. Entropy, 18 (12), 445. doi:10.3390/e18120445 ![]() |
![]() ![]() | Sun, S., Mignolet, B., Fan, L., Li, W., Levine, R. D., & Remacle, F. (2017). Nuclear Motion Driven Ultrafast Photodissociative Charge Transfer of the PENNA Cation: An Experimental and Computational Study. Journal of Physical Chemistry. A, 121 (7), 1442. doi:10.1021/acs.jpca.6b12310 ![]() |
![]() ![]() | van den Wildenberg, S., Mignolet, B., Levine, R. D., & Remacle, F. (2017). Pumping and probing vibrational modulated coupled electronic coherence in HCN using short UV fs laser pulses: A 2D quantum nuclear dynamical study. Physical Chemistry Chemical Physics, 19 (30), 19837-19846. doi:10.1039/c7cp02048a ![]() |
![]() ![]() | Fresch, B., Bocquel, J., Rogge, S., Levine, R. D., & Remacle, F. (2017). Implementation of multivariable logic functions in parallel by electrical addressing a molecule of three dopants in Silicon. Chemphyschem: A European Journal of Chemical Physics and Physical Chemistry, 18, 1790-1797. doi:10.1002/cphc.201700222 ![]() |
van den Wildenberg, S., Mignolet, B., & Remacle, F. (2017). Pumping and probing vibrational modulated electronic coherence in HCN by quantum dynamics [Paper presentation]. Invited seminar at the Instituto de fisica fundamental (Consejo Superior des Investigaciones Cientificas), Madrid, Spain. |
![]() ![]() | Klymenko, M. V., Rogge, S., & Remacle, F. (2017). Electronic states and valley-orbit coupling in linear and planar molecules formed by coupled P donors in silicon. Physical Review. B, Condensed Matter, 95 (20), 205301. doi:10.1103/PhysRevB.95.205301 ![]() |
![]() ![]() | Fresch, B., Bocquel, J., Rogge, S., Levine, R. D., & Remacle, F. (2017). A Probabilistic Finite State Logic Machine Realized Experimentally on a Single Dopant Atom. Nano Letters, 17, 1846. doi:10.1021/acs.nanolett.6b05149 ![]() |
![]() ![]() | Cipolloni, M., Fresch, B., Occhiuto, I., Rukin, P., Komarova, K. G., Cecconello, A., Willner, I., Levine, R. D., Remacle, F., & Collini, E. (2017). Coherent electronic and nuclear dynamics in a rhodamine heterodimer-DNA supramolecular complex. Physical Chemistry Chemical Physics, 19 (34), 23043-23051. doi:10.1039/c7cp01334e ![]() |
![]() ![]() | Zadran, S., Remacle, F., & Levine, R. D. (2016). Microfluidic chip with molecular beacons detects miRNAs in Human CSF to reliably characterize CNS-specific disorders. RNA and Disease, 3, 1183. ![]() |
van den Wildenberg, S., Mignolet, B., & Remacle, F. (2016). Ultrafast quantum dynamics of a triatomic molecule induced by short strong optical pulses [Paper presentation]. Journée scientifique de la Société Royale de Chimie. |
![]() ![]() | Rodríguez-Castillo, M., Lugo-Preciado, G., Laurencin, D., Tielens, F., vanderLee, A., Clément, S., Guari, Y., López-de-Luzuriaga, J. M., Monge, M., Remacle, F., & Richeter, S. (2016). Experimental and Theoretical Study of the Reactivity of Gold Nanoparticles Towards Benzimidazole-2-ylidene Ligands. Chemistry, 22. doi:10.1002/chem.201601253 ![]() |
![]() ![]() | Klymenko, M., Remacle, F., Sukhoivanov, I. A., & Shulika, O. V. (2016). Single-electron energy spectra of two coupled phosphorus donors in silicon. Proceedings of the International Conference on Advanced Optoelectronics and Lasers, CAOL, 220-221. doi:10.1109/CAOL.2016.7851434 ![]() |
Hanozin, E., Mignolet, B., Morsa, D., Stoddart, J. F., Remacle, F., & De Pauw, E. (2016). Coulombic driven multi-conformational aspects of oligorotaxane switches studied by ion mobility mass spectrometry [Paper presentation]. 33e metting JFSM. |
![]() ![]() | Nikodem, A., Levine, R. D., & Remacle, F. (2016). Quantum Nuclear Dynamics Pumped and Probed by Ultrafast Polarization Controlled Steering of a Coherent Electronic State in LiH. Journal of Physical Chemistry. A, 120 (19), 3343-3352. doi:10.1021/acs.jpca.6b00140 ![]() |
![]() ![]() | Sjalander, M., Borgstr, G., Klymenko, M., Remacle, F., & Kaxiras, S. (2016). Techniques for modulating error resilience in emerging multi-value technologies. In Proceedings of the ACM International Conference on Computing Frontiers (pp. 55-63). Acm. doi:10.1145/2903150.2903154 ![]() |
![]() ![]() | Mignolet, B., & Remacle, F. (2016). Time-efficient computation of the electronic structure of the C60 super-atom molecular orbital (SAMO) states in TDDFT. AIP Conference Proceedings. doi:10.1063/1.4968641 ![]() |
![]() ![]() | Li, H., Mignolet, B., Wang, Z., Betsch, K. J., Carnes, K. D., Ben-Itzhak, I., Cocke, C. L., Remacle, F., & Kling, M. F. (2016). Transition from SAMO to Rydberg State Ionization in C60 in Femtosecond Laser Fields. Journal of Physical Chemistry Letters, 7 (22), 4677-4682. doi:10.1021/acs.jpclett.6b02139 ![]() |
van den Wildenberg, S., Mignolet, B., & Remacle, F. (2016). Ultrafast quantum dynamics induced by short strong optical pulses in a triatomic molecule [Poster presentation]. Journée scientifique de la Société Royale de Chimie, Liège, Belgium. |
![]() ![]() | Burmistrova, A., Fresch, B., Sluysmans, D., De Pauw, E., Remacle, F., & Duwez, A.-S. (2016). Force measurements reveal how small binders perturb the dissociation mechanisms of DNA duplex sequences. Nanoscale, 8, 11718–11726. doi:10.1039/c6nr02201d ![]() |
![]() ![]() | Cipolloni, M., Fresch, B., Occhiuto, I., Komarova, K. G., Cecconello, A., Willner, I., Levine, R. D., Remacle, F., & Collini, E. (2016). Electronic coherences in rhodamine dimers: Vibronic coupling and distance dependence. Optics InfoBase Conference Papers. doi:10.1364/UP.2016.UTu4A.2 ![]() |
![]() ![]() | Klymenko, M., Klein, M., Levine, R. D., & Remacle, F. (2016). Operation of a quantum dot in the finite-state machine mode: Single-electron dynamic memory. Journal of Applied Physics, 120 (2), 024503. doi:10.1063/1.4955422 ![]() |
![]() ![]() | Ajay, J., Šmydke, J., Remacle, F., & Levine, R. D. (2016). Probing in Space and Time the Nuclear Motion Driven by Nonequilibrium Electronic Dynamics in Ultrafast Pumped N2. Journal of Physical Chemistry. A, 120 (19), 3335-3342. doi:10.1021/acs.jpca.6b00165 ![]() |
![]() ![]() | Willamme, R., Alsafra, Z., Arumugam, R., Eppe, G., Remacle, F., Levine, R. D., & Remacle, C. (2015). Metabolomic analysis of the green microalga Chlamydomonas reinhardtii cultivated under day/night conditions. Journal of Biotechnology. doi:10.1016/j.jbiotec.2015.04.013 ![]() |
![]() ![]() | Willamme, R., Alsafra, Z., Alsafra, R., Eppe, G., Remacle, F., Levine, R. D., & Remacle, C. (13 March 2015). The living of the green microalga Chlamydomonas reinhardtii in day/night cycles [Poster presentation]. 3rd UniGR Systems Biology Workshop and 2nd BioComp Symposium, Kaiserslautern, Germany. |
![]() ![]() | Bohl, E., Sokół, K. P., Mignolet, B., Thompson, J. O. F., Johansson, J. O., Remacle, F., & Campbell, E. E. B. (2015). Relative Photoionization Cross Sections of Super-Atom Molecular Orbitals (SAMOs) in C60. Journal of Physical Chemistry. A, 119 (47), 11504-11508. doi:10.1021/acs.jpca.5b10339 ![]() |
![]() ![]() | Li, H., Mignolet, B., Wachter, G., Skruszewicz, S., Zherebtsov, S., Süßmann, F., Kessel, A., Trushin, S. A., Kling, N. G., Kübel, M., Ahn, B., Kim, D., Ben-Itzhak, I., Cocke, C. L., Fennel, T., Tiggesbäumker, J., Meiwes-Broer, K. H., Lemell, C., Burgdörfer, J., ... Kling, M. F. (2015). Coherent electronic wave packet motion in c60 controlled by the waveform and polarization of few-cycle laser fields. Physical Review Letters, 114 (12), 123004. doi:10.1103/PhysRevLett.114.123004 ![]() |
![]() ![]() | Fresch, B., Cipolloni, M., Yan, T.-M., Collini, E., Levine, R. D., & Remacle, F. (2015). Parallel and Multivalued Logic by the Two-Dimensional Photon-Echo Response of a Rhodamine–DNA Complex. Journal of Physical Chemistry Letters, 6, 1714-1718. doi:10.1021/acs.jpclett.5b00514 ![]() |
![]() ![]() | Yan, T.-M., Fresch, B., Levine, R. D., & Remacle, F. (2015). Information processing in parallel through directionally resolved molecular polarization components in coherent multidimensional spectroscopy. Journal of Chemical Physics, 143 (6), 064106. doi:10.1063/1.4928066 ![]() |
![]() ![]() | Klymenko, M., Rogge, S., & Remacle, F. (2015). Multivalley envelope function equations and effective potentials for phosphorus impurity in silicon. Physical Review. B, 92 (19), 195302. doi:10.1103/PhysRevB.92.195302 ![]() |
![]() ![]() | Kraus, P. M., Mignolet, B., Baykusheva, D., Rupenyan, A., Horný, L., Penka, E. F., Grassi, G., Tolstikhin, O. I., Schneider, J., Jensen, F., Madsen, L. B., Bandrauk, A. D., Remacle, F., & Wörner, H. J. (2015). Measurement and laser control of attosecond charge migration in ionized iodoacetylene. Science, 350 (6262), 790-795. doi:10.1126/science.aab2160 ![]() |
![]() ![]() | Oliveira, M. J. T., Mignolet, B., Kus, T., Papadopoulos, T. A., Remacle, F., & Verstraete, M. (2015). Computational benchmarking for ultrafast electron dynamics: wavefunction methods vs density functional theory. Journal of Chemical Theory and Computation, 11, 2221 − 2233. doi:10.1021/acs.jctc.5b00167 ![]() |
![]() ![]() | Lugo Preciado, J. G., Schwanen, V., Fresch, B., & Remacle, F. (2015). Charge Redistribution Effects on the UV-VIS Spectra of Small Ligated Gold Clusters: a Computational Study. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 119 (20), 10969-10980. doi:10.1021/jp511120j ![]() |
![]() ![]() | Orbach, R., Lilienthal, S., Klein, M., Levine, R. D., Remacle, F., & Willner, I. (2015). Ternary DNA computing using 3 x 3 multiplication matrices. Chemical Science, 6, 1288-1292. doi:10.1039/C4SC02930E ![]() |
![]() ![]() | Fresch, B., & Remacle, F. (2015). An atomistic view of DNA dynamics and its interaction with small binders: insights from Molecular Dynamics and Principal Component Analysis. In C. Joachim (Ed.), Advances in Atom and Single Molecule Machines. Berlin, Germany: Springer. ![]() |
![]() ![]() | Mignolet, B., Levine, R. D., & Remacle, F. (28 June 2014). Charge Migration in the Bifunctional PENNA Cation Induced and Probed by Ultrafast Ionization: A Dynamical Study. Journal of Physics : B Atomic Molecular and Optical Physics, 47, 124011. doi:10.1088/0953-4075/47/12/124011 ![]() |
![]() ![]() | Mignolet, B., Levine, R. D., & Remacle, F. (13 February 2014). Control of electronic dynamics visualized by angularly resolved photoelectron spectra: A dynamical simulation with an IR pump and XUV attosecond-pulse-train probe. Physical Review. A, Atomic, molecular, and optical physics, 89, 021403. doi:10.1103/PhysRevA.89.021403 ![]() |
![]() ![]() | Kravchenko-Balasha, N., Simon, S., Levine, R. D., Remacle, F., & Exman, I. (2014). Computational Surprisal Analysis Speeds-Up Genomic Characterization of Cancer Processes. PLoS ONE, 9 (11), 108549. doi:10.1371/journal.pone.0108549 ![]() |
![]() ![]() | Muskatel, B. H., Remacle, F., & Levine, R. D. (2014). AttoPhotoChemistry. Probing ultrafast electron dynamics by the induced nuclear motion: The prompt and delayed predissociation of N2. Chemical Physics Letters, 601 (0), 45-48. doi:10.1016/j.cplett.2014.03.031 ![]() |
![]() ![]() | Mignolet, B., Levine, R. D., & Remacle, F. (2014). Electronic Dynamics by Ultrafast Pump Photoelectron Detachment Probed by Ionization: A Dynamical Simulation of Negative–Neutral–Positive in LiH–. Journal of Physical Chemistry. A, 118 (6721-6729). doi:10.1021/jp504592f ![]() |
![]() ![]() | Zadran, S., Remacle, F., & Levine, R. D. (2014). Surprisal Analysis of Glioblastoma Multiform (GBM) MicroRNA Dynamics Unveils Tumor Specific Phenotype. PLoS ONE, 9 (9), 10171. doi:10.1371/journal.pone.0108171 ![]() |
![]() ![]() | Orbach, R., Wang, F., Lioubashevski, O., Levine, R. D., Remacle, F., & Willner, I. (2014). A full-adder based on reconfigurable DNA-hairpin inputs and DNAzyme computing modules, Edge article. Chemical Science, 5 (9), 3381-3387. doi:10.1039/C4SC00914B ![]() |
![]() ![]() | Orbach, R., Remacle, F., Levine, R. D., & Willner, I. (2014). DNAzyme-based 2:1 and 4:1 multiplexers and 1:2 demultiplexer. Chemical Science, 5, 1074 - 1081. doi:10.1039/c3sc52752b ![]() |
![]() ![]() | Fresch, B., & Remacle, F. (2014). Atomistic account of structural and dynamical changes induced by small binders in the double helix of a short DNA. Physical Chemistry Chemical Physics, 16, 14070-14082. doi:10.1039/c4cp01561d ![]() |
![]() ![]() | Klymenko, M., & Remacle, F. (2014). Electronic states and wavefunctions of diatomic donor molecular ions in silicon: multi-valley envelope function theory. Journal of Physics: Condensed Matter, 26 (6), 065302. doi:10.1088/0953-8984/26/6/065302 ![]() |
![]() ![]() | Klymenko, M., & Remacle, F. (2014). Quantum dot ternary-valued full-adder: Logic synthesis by a multiobjective design optimization based on a genetic algorithm. Journal of Applied Physics, 116 (16), 164316. doi:10.1063/1.4900995 ![]() |
![]() ![]() | Kravchenko-Balasha, N., Wang, J., Remacle, F., Levine, R. D., & Heath, J. R. (2014). Glioblastoma cellular architectures are predicted through the characterization of two-cell interactions. Proceedings of the National Academy of Sciences of the United States of America, 111, 6521-6526. doi:10.1073/pnas.1404462111 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2014). Prédiction de la réponse moléculaire à des perturbations mesurée sur des cellules uniques. Médecine/Science, 30, 1129-1135. doi:10.1051/medsci/20143012016 ![]() |
![]() ![]() | Dufour, F., Fresch, B., Durupthy, O., Chaneac, C., & Remacle, F. (2014). Ligand and solvation effects on the structural and electronic properties of small gold clusters. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 118 (8), 4362. doi:10.1021/jp409019z ![]() |
![]() ![]() | Fresch, B., & Remacle, F. (2014). Tuning the Properties of Pd Nanoclusters by Ligand Coatings: Electronic Structure Computations on Phosphine, Thiol, and Mixed PhosphineThiol Ligand Shells. Journal of Physical Chemistry. C, Nanomaterials and interfaces. doi:10.1021/jp501392c ![]() |
![]() ![]() | Kus, T., Mignolet, B., Levine, R. D., & Remacle, F. (08 September 2013). Pump and probe of ultrafast charge reorganization in small peptides: A computational study through sudden ionizations. Journal of Physical Chemistry. A, 117 (40), 10513-10525. doi:10.1021/jp407295t ![]() |
![]() ![]() | Johansson, J. O., Bohl, E., Henderson, G. G., Mignolet, B., Dennis, T. J. S., Remacle, F., & Campbell, E. E. B. (27 August 2013). Hot electron production and diffuse excited states in C70, C82, and Sc3N@C80 characterized by angular-resolved photoelectron spectroscopy. Journal of Chemical Physics, 139, 084309. doi:10.1063/1.4818987 ![]() |
![]() ![]() | Mignolet, B., Johansson, O., Campbell, E. E. B., & Remacle, F. (2013). Probing Rapidly-Ionizing Super-Atom Molecular Orbitals in C60: A Computational and Femtosecond Photoelectron Spectroscopy Study. Chemphyschem: A European Journal of Chemical Physics and Physical Chemistry. doi:10.1002/cphc.201300585 ![]() |
![]() ![]() | Fresch, B., & Remacle, F. (18 April 2013). MOLECULAR DYNAMICS STUDY OF A DNA OLIGONUCLEOTIDE AND ITS COMPLEXES WITH SPECIFIC BINDERS UNDER MECHANICAL STRESS [Poster presentation]. NanoWal workshop. |
![]() ![]() | Wei, W., Shia, Q., Remacle, F., Qina, L., Shackelford, D., Shin, Y. S., Mischel, P. S., Levine, R. D., & Heath, J. R. (2013). Hypoxia induces a phase transition within a kinase signaling network in cancer cells. Proceedings of the National Academy of Sciences of the United States of America. doi:10.1073/pnas.1303060110 ![]() |
![]() ![]() | Gross, A., Li, C. M., Remacle, F., & Levine, R. D. (2013). Free Energy Rhythms in Saccharomyces cerevisiae: A Dynamic Perspective with Implications for Ribosomal Biogenesis. Biochemistry, 52 (9), 1641-1648. doi:10.1021/bi3016982 ![]() |
![]() ![]() | Fresch, B., Hiluf, D., Collini, E., Levine, R. D., & Remacle, F. (2013). Molecular decision trees realized by ultrafast electronic spectroscopy. Proceedings of the National Academy of Sciences of the United States of America, 110 (43), 17183-17188. doi:10.1073/pnas.1314978110 ![]() |
![]() ![]() | Mignolet, B., Kus, T., & Remacle, F. (2013). Imaging Orbitals by Ionization or Electron Attachment: The Role of Dyson Orbitals. In C. Joachim & L. Grill (Eds.), Imaging and Manipulating Molecular Orbitals (pp. 41-54). Berlin, Germany: Springer. ![]() |
![]() ![]() | Zadran, S., Remacle, F., & Levine, R. D. (2013). miRNA and mRNA cancer signatures determined by analysis of expression levels in large cohorts of patients. Proceedings of the National Academy of Sciences of the United States of America, 110 (47), 19160-19165. doi:10.1073/pnas.1316991110 ![]() |
![]() ![]() | Mignolet, B., Levine, R. D., & Remacle, F. (2012). Localized electron dynamics in attosecond-pulse-excited molecular systems: Probing the time-dependent electron density by sudden photoionization. Physical Review. A, Atomic, molecular, and optical physics. doi:10.1103/PhysRevA.86.053429 ![]() |
![]() ![]() | Fresch, B., Boyen, H. G., & Remacle, F. (10 July 2012). Control of the magnetostructural properties of the Pd13 cluster through its ligand shell: a computational study [Paper presentation]. 16th International Symposium on Small Particles and Inorganic Clusters (ISSPIC XVI), Leuven, Belgium. |
Mignolet, B., & Remacle, F. (15 February 2012). Theoretical investigation of the electronic dynamics induced by short pulses and study of the ionization of ABCU in strong fields [Poster presentation]. Gordon research conferences on photoions, photoionization and photodetachment, Galveston, United States - Texas. |
![]() ![]() | Fresch, B., Hanozin, E., Dufour, F., & Remacle, F. (2012). Interplay of structural and electronic stabilizing factors in neutral and cationic phosphine protected Au13 clusters. European Physical Journal D. Atoms, Molecules, Clusters and Optical Physics, 66 (12). doi:10.1140/epjd/e2012-30575-4 ![]() |
![]() ![]() | Fresch, B., & Remacle, F. (2012). Magnetostructural effects in ligand stabilized Pd13 cluster: a density functional theory study [Poster presentation]. TACC-2012, third conference on Theory and Applications of Computational Chemistry, Pavia, Italy. |
![]() ![]() | Ganesan, R., & Remacle, F. (2012). Stabilization of merocyanine by protonation, charge and external electric fields and effects on the isomerization of spiropyran: a computational study. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 131, 1255. doi:10.1007/s00214-012-1255-2 ![]() |
![]() ![]() | Elbaz, J., Wang, F., Remacle, F., & Willner, I. (2012). pH-Programmable DNA Logic Arrays Powered by Modular DNAzyme Libraries. Nano Letters, 10.1021/nl300051. doi:10.1021/nl300051g ![]() |
![]() ![]() | Fresch, B., Boyen, H.-G., & Remacle, F. (2012). Magnetostructural effects in ligand stabilized Pd13 clusters: a density functional theory study. Nanoscale, 4 (14), 4138-4147. doi:10.1039/c2nr30581j ![]() |
![]() ![]() | Fresch, B., & Remacle, F. (2012). Modeling of ligand induced changes in the magneto-structural properties of Pd13 cluster [Poster presentation]. Tenth Edition of the conference Quantum Chemistry in Belgium (QCB10). |
![]() ![]() | Muskatel, B. H., Remacle, F., & Levine, R. D. (2012). Ultrafast Predissociation Mechanism of the 1Πu States of 14N2 and Its Isotopomers upon Attosecond Excitation from the Ground State. Journal of Physical Chemistry. A. doi:10.1021/jp305354h ![]() |
![]() ![]() | Remacle, F., Arumugam, R., & Levine, R. D. (2012). Maximal entropy multivariate analysis. Molecular Physics, 110, 1659-1668. doi:10.1080/00268976.2012.665192 ![]() |
![]() ![]() | Johansson, J. O., Henderson, G. G., Remacle, F., & Campbell, E. E. B. (2012). Angular-resolved Photoelectron Spectroscopy of Superatom Orbitals of Fullerenes. Physical Review Letters, 108 (17), 173401. doi:10.1103/PhysRevLett.108.173401 ![]() |
![]() ![]() | Kryachko, E., & Remacle, F. (2012). 20-Nanogold Au20(Td) and Low-Energy Hollow Cages: Void Reactivity. In P. E. Hogan, E. J. Brändas, J. Maruani, P. Piecuch, ... G. Delgado-Barrio (Eds.), Advances in the Theory of Quantum Systems in Chemistry and Physics (pp. 571-598). Springer. ![]() |
![]() ![]() | Fresch, B., Verduijn, J., Mol, J. A., Rogge, S., & Remacle, F. (2012). Querying a quasi-classical Oracle: one bit function identification problem implemented in a single atom transistor. Europhysics Letters, 99 (2), 28004. doi:10.1209/0295-5075/99/28004 ![]() |
![]() ![]() | Kravchenko-Balasha, N., Levitzki, A., Goldstein, A., Rotter, V., Gross, A., Remacle, F., & Levine, R. D. (2012). On a fundamental structure of gene networks in living cells. Proceedings of the National Academy of Sciences of the United States of America, 109 (12), 4702-4707. doi:10.1073/pnas.1200790109 ![]() |
![]() ![]() | Orbach, R., Remacle, F., Levine, R. D., & Willner, I. (2012). Logic reversibility and thermodynamic irreversibility demonstrated by DNAzyme-based Toffoli and Fredkin logic gates. Proceedings of the National Academy of Sciences of the United States of America, 109 (52), 21228-21233. doi:10.1073/pnas.1219672110 ![]() |
![]() ![]() | Dufour, F., Durupthy, O., Cassaignon, S., Remacle, F., & Chaneac, C. (September 2011). Structural and morphological Control of TiO2 nanoparticles by selective adsorption of organic molecules [Poster presentation]. International Symposium on Advanced Complex Inorganic Materials, Namur, Septembre 2011, Namur, Belgium. |
Mignolet, B., & Remacle, F. (23 August 2011). Stereocontrol of attosecond time-scale electron dynamics in ABCU using ultrafast laser pulses: a computational study [Poster presentation]. CUSO summer school 2011 -Solving the Schrödinger Equation - From Electronic Structure to Quantum Dynamics, Villars sur Ollon, Switzerland. |
![]() ![]() | Fresch, B., & Remacle, F. (30 May 2011). QUASICLASSICAL IMPLEMENTATION OF AN EXACT LEARNING ALGORITHM IN A SINGLE DOPANT DEVICE [Poster presentation]. International meeting on Molecular Logic, Leiden, Netherlands. |
![]() ![]() | Fresch, B., & Remacle, F. (30 May 2011). KINETIC MODEL FOR TRANSIENT CURRENT SPECTROSCOPY ON SINGLE DOPANT DEVICES AND ITS POTENTIAL FOR PARALLEL COMPUTING [Poster presentation]. International meeting on Molecular Logic, Leiden, Netherlands. |
![]() ![]() | Mignolet, B., Gijsbertsen, A., Vrakking, M. J. J., Levine, R. D., & Remacle, F. (12 April 2011). Stereocontrol of attosecond time-scale electron dynamics in ABCU using ultrafast laser pulses: a computational study. Physical Chemistry Chemical Physics, 13 (18), 8331-8344. doi:10.1039/c1cp20094a ![]() |
![]() ![]() | Mol, J. A., Van der Heijden, J., Verduijn, J., Klein, M., Remacle, F., & Rogge, S. (2011). Balanced ternary addition using a gated silicon nanowire. Applied Physics Letters, 99 (26), 263109. doi:10.1063/1.3669536 ![]() |
![]() ![]() | Remacle, F., Graeber, T., & Levine, R. D. (2011). Whose Entropy: A Maximal Entropy Analysis of Phosphorylation Signaling. Journal of Statistical Physics, 10.1007/s10955-011-0215. doi:10.1007/s10955-011-0215-x ![]() |
![]() ![]() | Beil, F., Halfmann, T., Remacle, F., & Levine, R. D. (2011). Logic operations in a doped solid driven by stimulated Raman adiabatic passage. Physical Review. A, Atomic, molecular, and optical physics, 83, 033421. doi:10.1103/PhysRevA.83.033421 ![]() |
![]() ![]() | Mol, J., Verduijn, J., Levine, R. D., Remacle, F., & Rogge, S. (2011). Integrated logic circuits using single-atom transistors. Proceedings of the National Academy of Sciences of the United States of America, 108 (34), 13969-13972. doi:10.1073/pnas.1109935108 ![]() |
![]() ![]() | Shin, Y. S., Remacle, F., Fan, R., Hwang, K., Wei, W., Ahmad, H., Liu, C.-C., Levine, R. D., & Heath, J. R. (2011). Protein Signaling Networks from Single Cell Fluctuations and Information Theory Profiling. Biophysical Journal, 100 (10), 2378-2386. doi:10.1016/j.bpj.2011.04.025 ![]() |
![]() ![]() | Muskatel, B. H., Remacle, F., Thiemens, M., & Levine, R. D. (2011). On the strong and selective isotope effect in the UV excitation of N2 with implications toward the nebula and Martian atmosphere. Proceedings of the National Academy of Sciences of the United States of America, 108 (15), 6020-6025. doi:10.1073/pnas.1102767108 ![]() |
![]() ![]() | Kravchenko-Balasha, N., Remacle, F., Gross, A., Rotter, V., Levitzki, & Levine, R. D. (2011). Convergence of Logic of Cellular Regulation in Different Premalignant Cells by an Information Theoretic Approach. BMC Systems Biology, 5, 42. doi:10.1186/1752-0509-5-42 ![]() |
Bano, F., Leyh, B., De Pauw, E., Remacle, F., & Duwez, A.-S. (2011). Probing DNA interactions with gold [Paper presentation]. XIII Annual Winter Workshop on Advances in Single-Molecule Research for Biology & Nanoscience, Linz, Austria. |
![]() ![]() | Remacle, F., & Levine, R. D. (2011). Attosecond pumping of nonstationary electronic states of LiH: Charge shake-up and electron density distortion. Physical Review. A, General Physics, 83 (1), 013411. ![]() |
Mignolet, B., & Remacle, F. (05 July 2010). Theoretical study of the ultrafast electron dynamics induced by an atto pulse in the neutral and cationic states of the ABCU molecule [Poster presentation]. 12ème Rencontre des Chimistes Théoriciens Francophones, Namur, Belgium. |
![]() ![]() | Bomble, L., Lauvergnat, D., Remacle, F., & Desouter, M. (2010). Controlled full adder-subtractor by vibrational computing. Physical Chemistry Chemical Physics, 12 (48), 15628-15635. doi:10.1039/c003687k ![]() |
![]() ![]() | Graeber, T. G., Heath, J. R., Skaggs, B. J., Phelps, M. E., Remacle, F., & Levine, R. D. (2010). Maximal Entropy Inference of Oncogenicity from Phosphorylation Signaling. Proceedings of the National Academy of Sciences of the United States of America, 107, 6112-6117. doi:10.1073/pnas.1001149107 ![]() |
![]() ![]() | Wang, Z. G., Elbaz, J., Remacle, F., Levine, R. D., & Willner, I. (2010). All-DNA finite-state automata with finite memory. Proceedings of the National Academy of Sciences of the United States of America, 107 (51), 21996-22001. doi:10.1073/pnas.1015858107 ![]() |
![]() ![]() | Medalsy, I., Klein, M., Heyman, A., Shoseyov, O., Remacle, F., Levine, R. D., & Porath, D. (2010). Logic implementations using a single nanoparticle-protein hybrid. Nature Nanotechnology, 5, 451-457. doi:10.1038/nnano.2010.62 ![]() |
![]() ![]() | Elbaz, J., Lioubashevskia, O., Remacle, F., Levine, R. D., & Willner, I. (2010). DNA Computing Circuits Using Libraries of DNAzyme Subunits. Nature Nanotechnology, 5, 417-422. doi:10.1038/nnano.2010.88 ![]() |
![]() ![]() | Remacle, F., Kravchenko-Balasha, N., Leviztski, A., & Levine, R. D. (2010). Information-Theoretic Analysis of Phenotype Changes in Early Stages of Carcinogenesis. Proceedings of the National Academy of Sciences of the United States of America, 107, 10324-10329. doi:10.1073/pnas.1005283107 ![]() |
![]() ![]() | Periyasamy, G., Durgun, E., Raty, J.-Y., & Remacle, F. (2010). DFT studies of solvation effects on the nanosize bare, thiolated and redox active ligated Au55 cluster. Journal of Physical Chemistry. C, Nanomaterials and interfaces, Protected Metallic Clusters, Quantum Wells and Metal-Nanocrystal Molecules Symposium, 10.1021/jp9119827. doi:10.1021/jp9119827 ![]() |
![]() ![]() | YAN, Y., Mol, J. A., Verduijn, J., Rogge, S., Levine, & Remacle, F. (2010). Electrically addressing a molecule-like donor pair in silicon: An atomic scale cyclable full adder logic. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 114, 20380-20386. doi:10.1021/jp103524d ![]() |
Morsa, D., Gabelica, V., Rosu, F., Remacle, F., & De Pauw, E. (2010). Internal energy content of ions in a travelling wave ion guide [Paper presentation]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. |
![]() ![]() | Greisch, J.-F., Leyh, B., Remacle, F., & De Pauw, E. (2010). Gas Phase Fullerene Anions Hydrogenation by Methanol Followed by IRMPA Dehydrogenation. Journal of the American Society for Mass Spectrometry, 21 (1), 117-126. doi:10.1016/j.jasms.2009.09.015 ![]() |
![]() ![]() | Zhang, C., Periyasamy, G., & Remacle, F. (2010). Bonding patterns of [Ag2-alanine]0,± hybrid complexes and the implementation of Molecular logic gates. International Journal of Quantum Chemistry, 110 (12), 2237-2246. doi:10.1002/qua.22786 ![]() |
![]() ![]() | Periyasamy, G., Levine, R. D., & Remacle, F. (2010). Redox Executed Logic Operations through the Reversible Voltammetric Response Characteristics of Electroactive Self-Assembled Monolayers. Australian Journal of Chemistry, 63 (2), 173-183. doi:10.1071/CH09504 ![]() |
![]() ![]() | Klein, M., Mol, J. A., Verduijn, J., Lansbergen, G. P., Rogge, S., Levine, R. D., & Remacle, F. (2010). Ternary logic implemented on a single dopant atom field effect silicon transistor. Applied Physics Letters, 96, 043107. doi:10.1063/1.3297906 ![]() |
![]() ![]() | Long, G. J., Tanase, S., Remacle, F., Periyasamy, G., & Grandjean, F.-X. (2009). Combined Mossbauer Spectral and Density Functional Theory Determination of the Magnetic Easy-Axis in Two High-Spin Iron(II) 2-Pyrazinecarboxylate Complexes. Inorganic Chemistry, 48 (17), 8173-8179. doi:10.1021/ic9003609 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2009). The Elimination of Redundant Constraints in Surprisal Analysis of Unimolecular Dissociation and Other Endothermic Processes. Journal of Physical Chemistry. A, 113 (16), 4658-4664. doi:10.1021/jp811463h ![]() |
![]() ![]() | Bomble, L., Lauvergnat, D., Remacle, F., & Desouter-Lecomte, M. (2009). Controlled full adder or subtractor by vibrational quantum computing. Physical Review. A, Atomic, molecular, and optical physics, 80 (2). doi:10.1103/PhysRevA.80.022332 ![]() |
![]() ![]() | Periyasamy, G., & Remacle, F. (2009). Ligand and Solvation Effects on the Electronic Properties of Au-55 Clusters: A Density Functional Theory Study. Nano Letters, 9 (8), 3007-3011. doi:10.1021/nl901430k ![]() |
![]() ![]() | Klein, M., Lansbergen, G. P., Mol, J. A., Rogge, S., Levine, R. D., & Remacle, F. (2009). Reconfigurable Logic Devices on a Single Dopant Atom-Operation up to a Full Adder by Using Electrical Spectroscopy. Chemphyschem: A European Journal of Chemical Physics and Physical Chemistry, 10 (1), 162-173. doi:10.1002/cphc.200800568 ![]() |
![]() ![]() | Periyasamy, G., Collin, J., Sauvage, J., Levine, R. D., & Remacle, F. (2009). Electrochemically Driven Sequential Machines: An Implementation of Copper Rotaxanes. Chemistry, 15 (6), 1310-1313. doi:10.1002/chem.200802249 ![]() |
![]() ![]() | Periyasamy, G., Sour, A., Collin, J., Sauvage, J., & Remacle, F. (2009). Computational, Structural, and Mechanistic Analysis of the Electrochemically Driven Pirouetting Motion of a Copper Rotaxane. Journal of Physical Chemistry B, 113 (18), 6219-6229. doi:10.1021/jp901214b ![]() |
![]() ![]() | Muskatel, B. H., Remacle, F., & Levine, R. D. (2009). The post-Born-Oppenheimer regime: dynamics of electronic motion in molecules by attosecond few-cycle spectroscopy. Physica Scripta, 80 (4). doi:10.1088/0031-8949/80/04/048101 ![]() |
![]() ![]() | Remacle, F., Long, G. J., & Grandjean, F. (2008). A density functional theory calculation of the electronic properties of several high-spin and low-spin iron(II) pyrazolylborate complexes. Inorganic Chemistry, 47 (10), 4005-4014. doi:10.1021/ic701367b ![]() |
![]() ![]() | Klein, M., Levine, R. D., & Remacle, F. (2008). Principles of design of a set-reset finite state logic nanomachine. Journal of Applied Physics, 104 (4). doi:10.1063/1.2970060 ![]() |
![]() ![]() | Kuznetz, O., Salman, H., Eichen, Y., Remacle, F., Levine, R. D., & Speiser, S. (2008). All optical full adder based on intramolecular electronic energy transfer in the rhodamine-azulene bichromophoric system. Journal of Physical Chemistry C, 112 (40), 15880-15885. doi:10.1021/jp804658b ![]() |
![]() ![]() | Bomble, L., Lavorel, B., Remacle, F., & Desouter-Lecomte, M. (2008). Computational investigation and experimental considerations for the classical implementation of a full adder on SO2 by optical pump-probe schemes. Journal of Chemical Physics, 128 (19). doi:10.1063/1.2920486 ![]() |
![]() ![]() | Kryachko, E., & Remacle, F. (2008). Implementation of simple logic gates on gold-ammonia bonding patterns in different charge states. Molecular Physics, 106 (2-4), 521-530. doi:10.1080/00268970701881170 ![]() |
![]() ![]() | Bomble, L., Lauvergnat, D., Remacle, F., & Desouter-Lecomte, M. (2008). Vibrational computing: Simulation of a full adder by optimal control. Journal of Chemical Physics, 128 (6). doi:10.1063/1.2806800 ![]() |
![]() ![]() | Torres, E. A., Kompa, K. L., Remacle, F., & Levine, R. D. (2008). Ultrafast vibrational spectroscopy and relaxation in polyatomic molecules: Potential for molecular parallel computing. Chemical Physics, 347 (1-3), 531-545. doi:10.1016/j.chemphys.2008.01.015 ![]() |
![]() ![]() | Nest, M., Remacle, F., & Levine, R. D. (2008). Pump and probe ultrafast electron dynamics in LiH: a computational study. New Journal of Physics, 10. doi:10.1088/1367-2630/10/2/025019 ![]() |
![]() ![]() | Kryachko, E., & Remacle, F. (2007). The gold-ammonia bonding patterns of neutral and charged complexes Au m 0+/-1-(NH3)n. I. Bonding and charge alternation. Journal of Chemical Physics, 127 (19), 194305. doi:10.1063/1.2786996 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2007). Towards parallel computing: representation of a linear finite state digital logic machine by a molecular relaxation process. European Physical Journal D. Atoms, Molecules, Clusters and Optical Physics, 42 (1), 49-59. doi:10.1140/epjd/e2006-00277-9 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2007). Probing ultrafast purely electronic charge migration in small peptides. Zeitschrift für Physikalische Chemie, 221 (5), 647-661. doi:10.1524/zpch.2007.221.5.647 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2007). Time-resolved electrochemical spectroscopy of charge migration in molecular wires: Computational evidence for rich electronic dynamics. Journal of Physical Chemistry C, 111 (5), 2301-2309. doi:10.1021/jp0658647 ![]() |
![]() ![]() | Remacle, F., Kienberger, R., Krausz, F., & Levine, R. D. (2007). On the feasibility of an ultrafast purely electronic reorganization in lithium hydride. Chemical Physics, 338, 342-347. doi:10.1016/j.chemphys.2007.05.012 ![]() |
![]() ![]() | Klein, M., Rogge, S., Remacle, F., & Levine, R. D. (2007). Transcending binary logic by gating three coupled quantum dots. Nano Letters, 7, 2795-2799. doi:10.1021/nl071376e ![]() |
![]() ![]() | Remacle, F., Nest, M., & Levine, R. D. (2007). Laser steered ultrafast quantum dynamics of electrons in LiH. Physical Review Letters, 99 (18), 183902. doi:10.1103/PhysRevLett.99.183902 ![]() |
![]() ![]() | Kryachko, E., & Remacle, F. (2007). The magic gold cluster AU(20). International Journal of Quantum Chemistry, 107 (14), 2922-2934. doi:10.1002/qua.21504 ![]() |
![]() ![]() | Greisch, J.-F., Weinkauf, R., De Pauw, E., Kryachko, E., & Remacle, F. (2007). Charge distribution in 3'-deoxythymidine-fullerene: Mass spectrometry, laser excitation, and computational studies. Israel Journal of Chemistry, 47 (1), 25-35. doi:10.1560/IJC.47.1.25 ![]() |
![]() ![]() | Xu, K., Green, J. E., Heath, J. R., Remacle, F., & Levine, R. D. (2007). The emergence of a coupled quantum dot array in a doped silicon nanowire gated by ultrahigh density top gate electrodes. Journal of Physical Chemistry C, 111 (48), 17852-17860. doi:10.1021/jp071353o ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2006). Electrical transport in saturated and conjugated molecular wires. Faraday Discussions, 131, 45-67. doi:10.1039/b505696a ![]() |
![]() ![]() | Remacle, F., Weinkauf, R., & Levine, R. D. (2006). Molecule-based photonically switched half and full adder. Journal of Physical Chemistry. A, 110 (1), 177-184. doi:10.1021/jp0557417 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2006). An electronic time scale in chemistry. Proceedings of the National Academy of Sciences of the United States of America, 103 (18), 6793-6798. doi:10.1073/pnas.0601855103 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2006). The time scale for electronic reorganization upon sudden ionization of the water and water-methanol hydrogen bonded dimers and of the weakly bound NO dimer. Journal of Chemical Physics, 125 (13). doi:10.1063/1.2227023 ![]() |
![]() ![]() | Remacle, F., & Levine, R. D. (2006). All-optical digital logic: Full addition or subtraction on a three-state system. Physical Review. A, Atomic, molecular, and optical physics, 73 (3). doi:10.1103/PhysRevA.73.033820 ![]() |
![]() ![]() | Greisch, J.-F., Gabelica, V., Remacle, F., & De Pauw, E. (2003). Thermometer ions for matrix-enhanced laser desorption/ionization internal energy calibration. Rapid Communications in Mass Spectrometry, 17 (16), 1847-1854. doi:10.1002/rcm.1124 ![]() |
Urbain, P., Leyh, B., Remacle, F., LORQUET, A., Flammang, R., & Lorquet, J.-C. (1999). Unimolecular reaction dynamics from kinetic energy release distributions. III. A comparative study of the halogenobenzene cations. Journal of Chemical Physics, 110 (2-12), 2911-2921. doi:10.1063/1.477934 ![]() |
Urbain, P., Leyh, B., & Remacle, F. (1999). Unimolecular reaction dynamics from kinetic energy release distributions.IV. Dissociation of the Pyridine ion. International Journal of Mass Spectrometry and Ion Processes, 185-187, 155-163. ![]() |
![]() ![]() | Urbain, P., Remacle, F., Leyh, B., & Lorquet, J.-C. (1996). Unimolecular Reaction Dynamics from Kinetic Energy Release Distributions. 2. A Study of the Reaction C6H5Br+->C6H5++Br by the Maximum Entropy Method. Journal of Physical Chemistry, 100 (19), 8003-8007. doi:10.1021/jp953069f ![]() |
Remacle, F., Lorquet, J.-C., & Levine, R. D. (1993). Unimolecular dissociation of selectively excited polyatomic molecules. Chemical Physics Letters, 209 (4), 315-324. doi:10.1016/0009-2614(93)80024-J ![]() |
![]() ![]() | Desouter, M., & Remacle, F. (1992). Local decoupling of a bunch of resonances and associated trapping effect. Chemical Physics, 164, 11-22. doi:10.1016/0301-0104(92)87125-S ![]() |
![]() ![]() | Remacle, F., Desouter, M., & Lorquet, J.-C. (1991). Quantum effects in competitive decay. Chemical Physics, 153, 201-217. ![]() |
Remacle, F., Desouter-Lecomte, M., & Lorquet, J.-C. (1991). Quantum effects in competitive unimolecular reactions. Chemical Physics, 153 (1-2), 201-217. doi:10.1016/0301-0104(91)90019-P ![]() |
![]() ![]() | Remacle, F., Munster, M., Pavlov-Verevkin, V. B., & Desouter, M. (1990). Trapping in competitive decay of degenerate states. Physical letters A, 145, 265-268. doi:10.1016/0375-9601(90)90361-Q ![]() |
![]() ![]() | Remacle, F., Desouter, M., & Lorquet, J.-C. (1989). Extracting laws of decay in the femto-picosecond range from autocorrelation functions. Journal of Chemical Physics, 91, 4155-4168. doi:10.1063/1.456793 ![]() |
![]() ![]() | Remacle, F., Dehareng, D., & Lorquet, J.-C. (1988). NONADIABATIC UNIMOLECULAR REACTIONS .2. ISOTOPE EFFECTS ON THE KINETIC-ENERGY RELEASE. Journal of Physical Chemistry, 92 (16), 4784-4787. doi:10.1021/j100327a044 ![]() |
![]() ![]() | Remacle, F., Petitjean, S., Dehareng, D., & Lorquet, J.-C. (1987). AN ABINITIO STUDY OF THE ISOMERIZATION AND FRAGMENTATION OF CHO2+ IONS - AN EXAMPLE OF SPIN-CONTROLLED REACTIONS. International Journal of Mass Spectrometry and Ion Processes, 77 (2-3), 187-201. doi:10.1016/0168-1176(87)87007-6 ![]() |