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Journal of Chemical Theory and Computation|November 24, 2015
Improved Treatment of Surrounding Effects: UV/vis Absorption Properties of a Solvated Ru(II) ComplexAgisilaos Chantzis, Thibaut Very, Antonio Monari, et al.
Journal of Computational Chemistry|April 23, 2014
Toward the understanding of the environmental effects on core ionizationsAdèle D Laurent, Vitaly N Glushkov, Thibaut Very, et al.
Journal of Molecular Modeling|September 14, 2012
Insight on the interaction of polychlorobiphenyl with nucleic acid-baseSoraya Abtouche, Thibaut Very, Antonio Monari, et al.
Physical Chemistry Chemical Physics : PCCP|June 16, 2012
Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru(dppz)(bpy)2]2+Thibaut Very, Stéphane Despax, Pascal Hébraud, et al.
The Journal of Physical Chemistry. B|April 2, 2013
A QM/MM study of the absorption spectrum of harmane in water solution and interacting with DNA: the crucial role of dynamic effectsThibaud Etienne, Thibaut Very, Eric A Perpète, et al.
International Journal of Molecular Sciences|January 21, 2022
Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT ProtocolsMarine Lebel, Thibaut Very, Eric Gloaguen, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 12, 2021
Ion Pair Supramolecular Structure Identified by ATR-FTIR Spectroscopy and Simulations in Explicit Solvent*Jeremy Donon, Sana Habka, Thibaut Very, et al.
Journal of Molecular Modeling|February 25, 2014
UV-vis absorption spectrum of a novel Ru(II) complex intercalated in DNA: [Ru(2,2'-bipy)(dppz)(2,2'-ArPy)]⁺Agisilaos Chantzis, Thibaut Very, Stéphane Despax, et al.
Physical Chemistry Chemical Physics : PCCP|April 13, 2019
Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulationsSana Habka, Thibaut Very, Jeremy Donon, et al.
Arxiv|November 11, 2020
Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systemsOlivier Adjoua, Louis Lagardère, Luc-Henri Jolly, et al.
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