| 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 Hebraud, A Monari, X Assfeld Physical Chemistry Chemical Physics 14 (36), 12496-12504, 2012 | 63 | 2012 |
| 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 | 61 | 2012 |
| 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 | 53 | 2014 |
| 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 | 51 | 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 | 49 | 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 Perpete, A Monari, X Assfeld The Journal of Physical Chemistry B 117 (17), 4973-4980, 2013 | 46 | 2013 |
| Tinker-HP: Accelerating molecular dynamics simulations of large complex systems with advanced point dipole polarizable force fields using GPUs and multi-GPU systems O Adjoua, L Lagardère, LH Jolly, A Durocher, T Very, I Dupays, Z Wang, ... Journal of chemical theory and computation 17 (4), 2034-2053, 2021 | 37 | 2021 |
| 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, 1-10, 2014 | 19 | 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 | 18 | 2019 |
| 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: A Festschrift from Theoretical Chemistry …, 2014 | 17 | 2014 |
| Chauvot de Beauchêne, I.; Mias-Lucquin, D.; Devignes, M.-D.; et al. Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis A Gheeraert, L Vuillon, L Chaloin, O Moncorgé, T Very, S Perez, V Leroux J. Chem. Inf. Model 62, 3107-3122, 2022 | 6 | 2022 |
| Ion Pair Supramolecular Structure Identified by ATR‐FTIR Spectroscopy and Simulations in Explicit Solvent J Donon, S Habka, T Very, F Charnay‐Pouget, M Mons, DJ Aitken, ... ChemPhysChem 22 (23), 2442-2455, 2021 | 5 | 2021 |
| Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis A Gheeraert, L Vuillon, L Chaloin, O Moncorgé, T Very, S Perez, V Leroux, ... Journal of Chemical Information and Modeling 62 (12), 3107-3122, 2022 | 4 | 2022 |
| Excited states computation of models of phenylalanine protein chains: Td-dft and composite cc2/td-dft protocols M Lebel, T Very, E Gloaguen, B Tardivel, M Mons, V Brenner International Journal of Molecular Sciences 23 (2), 621, 2022 | 3 | 2022 |
| 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 | 3 | 2014 |
| 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, 581-588, 2013 | 3 | 2013 |
| Model protein excited states: MRCI calculations with large active spaces vs CC2 method V Brenner, T Véry, MW Schmidt, MS Gordon, S Hoyau, N Ben Amor The Journal of Chemical Physics 154 (21), 2021 | 1 | 2021 |
| Model protein excited states: MRCI calculations with large active spaces vs CC2 method M Gordon, T Véry, MW Schmidt, MS Gordon, S Hoyau, N Ben Amor | | 2021 |
| Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations J Donon, S Habka, T Very, V Vaquero-Vara, B Tardivel, ... Rencontres de Chimie Physique 2019, 2019 | | 2019 |
| Simulation de propriétés photophysiques de complexes de ruthénium en interaction avec l’ADN V Thibaut | | 2012 |
Antonio MonariUniversité Paris Cité and CNRS, ITODYSAdresse e-mail validée de u-paris.fr
