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Fresch Barbara

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Main Referenced Co-authors
Remacle, Françoise  (18)
Moro, Giorgio J. (8)
Levine, Raphaël David (3)
Collini, Elisabetta (2)
Bagno, Alessandro (1)
Main Referenced Keywords
2D photon echo spectroscpy (1); DNA oligonucleotide (1); molecular dynamics (1); molecular logic (1); molecular recognition (1);
Main Referenced Disciplines
Chemistry (30)
Physical, chemical, mathematical & earth Sciences: Multidisciplinary, general & others (3)
Physics (2)

Publications (total 35)

The most downloaded
140 downloads
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 https://hdl.handle.net/2268/182322

The most cited

36 citations (Scopus®)

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 https://hdl.handle.net/2268/162195

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
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

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.
Peer reviewed

Fresch, B. (04 March 2014). Theoretical characterization of the interactions between organic ligands and metallic clusters [Paper presentation]. Meeting of the COST action HINT (Rational Design of Hybrid Interfaces), Urbino, Italy.

Fresch, B. (23 January 2014). Tailoring the Properties of Metallic Clusters by Ligand Coatings [Paper presentation]. Quantum Chemistry In Belgium (QCB11), Namur, Belgium.

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
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

Fresch, B. (19 June 2013). Dynamical properties of DNA-ligand complexes under shear stress: insights from classical molecular dynamics [Paper presentation]. International Symposium on “Single molecular machine and motors”, Tolouse, France.

Di Sarra, F., Fresch, B., Bini, R., Saielli, G., & Bagno, A. (May 2013). Reactivity of auranofin with selenols and thiols: implications for the anticancer activity of gold(I) compounds. European Journal of Inorganic Chemistry, 2013 (15), 2718. doi:10.1002/ejic.201300058
Peer Reviewed verified by ORBi

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.

Fresch, B., & Moro, G. J. (2013). Typical response of quantum pure states. European Physical Journal B -- Condensed Matter, 86, 233. doi:10.1140/epjb/e2013-40023-6
Peer Reviewed verified by ORBi

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
Peer Reviewed verified by ORBi

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.

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
Peer Reviewed verified by ORBi

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).

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
Peer Reviewed verified by ORBi

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.

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
Peer Reviewed verified by ORBi

Fresch, B. (16 September 2011). KINETIC MODEL FOR TRANSIENT CURRENT SPECTROSCOPY ON SINGLE DOPANT DEVICE AND ITS POTENTIAL FOR QUASICLASSICAL PARALLEL COMPUTING [Paper presentation]. Summer School on Statistical Physics of Complex and Small Systems, Palma de Mallorca, Spain.

Fresch, B. (01 July 2011). Parallel quasiclassical implementation of an exact learning algorithm in a single dopant device [Paper 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.

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. (24 January 2011). Typical properties of random pure states: a new paradigm for quantum thermodynamics [Paper presentation]. CQS-Seminar, Heidelberg, Germany.

Fresch, B., & Moro, G. J. (2011). Beyond quantum microcanonical statistics. Journal of Chemical Physics, 134, 054510. doi:10.1063/1.3544218
Peer Reviewed verified by ORBi

Fresch, B. (26 February 2010). Relaxation to Thermodynamical Equilibrium from Simulations of Quantum Dynamics [Paper presentation]. Winter Modeling, Pisa, Italy.

Fresch, B., & Moro, G. J. (2010). Emergence of Equilibrium Thermodynamic Properties in Quantum Pure States I. Theory. Journal of Chemical Physics, 133, 034509. doi:10.1063/1.3455998
Peer Reviewed verified by ORBi

Fresch, B., & Moro, G. J. (2010). Emergence of equilibrium thermodynamic properties in quantum pure states. II. Analysis of a spin model system. Journal of Chemical Physics, 133, 034510. doi:10.1063/1.3456000
Peer Reviewed verified by ORBi

Fresch, B. (28 October 2009). Typicality and Fluctuations: A different way to look at Quantum Statistical Mechanics [Paper presentation]. Seminario Dottorato: Scuole di Dottorato in Matematica Pura e Matematica Computazionale, Padova, Italy.

Fresch, B., & Moro, G. J. (2009). Typicality in Ensembles of Quantum States: Monte Carlo Sampling versus Analytical Approximations. Journal of Physical Chemistry. A, 113, 14502. doi:10.1021/jp9039989
Peer Reviewed verified by ORBi

Fresch, B., & Moro, G. J. (2008). Properties of Random Quantum States: Monte Carlo sampling versus analytical approximations [Poster presentation]. 7th European Conference on Computational Chemistry, Venice, Italy.

Fresch, B., & Moro, G. J. (2006). Effects of Collective Fluctuations in 2D-ELDOR spectroscopy [Poster presentation]. The 3rd International Conference on Coherent Multidimensional Spectroscopy, Rigi Kulm, Switzerland.

Fresch, B., Frezzato, D., Moro, G. J., Kothe, G., & Freed, J. H. (2006). Collective fluctuations in ordered fluids investigated by two-dimensional electron-electron double resonance spectroscopy. Journal of Physical Chemistry B, 110, 24238. doi:10.1021/jp064028u
Peer Reviewed verified by ORBi

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