| 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 | 60 | 2012 |
| 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 | 57 | 2012 |
| 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 | 48 | 2012 |
| 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 | 46 | 2013 |
| 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 | 44 | 2013 |
| 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 | 41 | 2014 |
| 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 | 18 | 2014 |
| 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 | 17 | 2014 |
| 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 | 8 | 2019 |
| 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 | 4 | 2013 |
| 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 | 2 | 2014 |
| 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 | 1 | 2020 |
| 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 |
Antonio MonariLaboratoire de Chimie et Physique Théoriqes (LPCT)Adresse e-mail validée de univ-lorraine.fr
