Thibaut Very
Thibaut Very
Postdoc CEA Saclay
Adresse e-mail validée de cea.fr
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A QM/MM study on the spinach plastocyanin: redox properties and absorption spectra
A Monari, T Very, JL Rivail, X Assfeld
Computational and Theoretical Chemistry 990, 119-125, 2012
602012
Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru (dppz)(bpy) 2] 2+
T Very, S Despax, P Hébraud, A Monari, X Assfeld
Physical Chemistry Chemical Physics 14 (36), 12496-12504, 2012
572012
Improved treatment of surrounding effects: UV/vis absorption properties of a solvated Ru (II) complex
A Chantzis, T Very, A Monari, X Assfeld
Journal of chemical theory and computation 8 (5), 1536-1541, 2012
482012
Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes
A Chantzis, T Very, C Daniel, A Monari, X Assfeld
Chemical Physics Letters 578, 133-137, 2013
462013
A QM/MM study of the absorption spectrum of harmane in water solution and interacting with DNA: the crucial role of dynamic effects
T Etienne, T Very, EA Perpète, A Monari, X Assfeld
The Journal of Physical Chemistry B 117 (17), 4973-4980, 2013
442013
Photophysical properties of ruthenium (II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theory
T Véry, D Ambrosek, M Otsuka, C Gourlaouen, X Assfeld, A Monari, ...
Chemistry–A European Journal 20 (40), 12901-12909, 2014
412014
UV–vis absorption spectrum of a novel Ru (II) complex intercalated in DNA:[Ru (2, 2′-bipy)(dppz)(2, 2′-ArPy)]+
A Chantzis, T Very, S Despax, JT Issenhuth, A Boeglin, P Hébraud, ...
Journal of molecular modeling 20 (3), 1-10, 2014
182014
Effects of mutations on the absorption spectra of copper proteins: a QM/MM study
A Monari, T Very, JL Rivail, X Assfeld
Marco Antonio Chaer Nascimento, 39-47, 2014
172014
Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations
S Habka, T Very, J Donon, V Vaquero-Vara, B Tardivel, ...
Physical Chemistry Chemical Physics 21 (24), 12798-12805, 2019
82019
Insight on the interaction of polychlorobiphenyl with nucleic acid–base
S Abtouche, T Very, A Monari, M Brahimi, X Assfeld
Journal of molecular modeling 19 (2), 581-588, 2013
42013
Toward the understanding of the environmental effects on core ionizations
AD Laurent, VN Glushkov, T Very, X Assfeld
Journal of computational chemistry 35 (15), 1131-1139, 2014
22014
Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems
O Adjoua, L Lagardère, LH Jolly, A Durocher, T Very, I Dupays, Z Wang, ...
arXiv preprint arXiv:2011.01207, 2020
12020
Simulation de propriétés photophysiques de complexes de ruthénium en interaction avec l'ADN
T Véry
Université de Lorraine, 2012
2012
UV-Vis spectrum of a Ru (II) complex intercalated into DNA: a QM/MM study.
A Chantzis, T Very, A Monari, X Assfeld
Journal of Chemical Theory and Computation, 2012
2012
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