引用次数
引用: 7,439
H-指数: 54
I10-指数 : 126
出版物: 272
Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase
Pablo López-Tarifa , Marie-Anne Hervé du Penhoat , Rodophe Vuilleumier , Marie-Pierre Gaigeot
Central European Journal of Physics 12 ( 2) 97 -102
5
2014
Time-dependent Density Theory molecular dynamics simulation of doubly charged uracil in gas phase
Pablo López-Tarifa , Marie-Anne Hervé du Penhoat , Rodophe Vuilleumier , Marie-Françoise Politis
Cent. Eur. J. Phys 1 9 -9
Multiple Ionization Processes Related to Irradiation of Biological Tissue
M. E. GALASSI , R. D. RIVAROLA , M. P. GAIGEOT , B. GERVAIS
Proceedings of the XXIV International Conference 482 -485
2006
A topological analysis of the proton transfer in H5O2
X. KROKIDIS , R. VUILLEUMIER , D. BORGIS , B. SILVI
Molecular Physics 96 ( 2) 265 -273
64
1999
Modelling proton transfer in solution using non-additive valence-bond force fields
RODOLPHE VUILLEUMIER , DANIEL BORGIS
Proceedings of the International School of Physics 721 -741
1998
Solid-State study of selected Schiff Bases as model compounds with intramolecular Hydrogen Bonds based on Car-Parrinello Molecular Dynamics
ANETA JEZIERSKA , RODOLPHE VUILLEUMIER , GIOVANNI CICCOTTI
TD-DFT investigation of the ultrafast dissociation of ionised biomolecules immersed in water: Direct and indirect chemical reactivity
Ivano Tavernelli , Marie-Pierre Gaigeot , Manuel Alcami , Pablo Lopez-Tarifa
Abstracts Of Papers Of The American Chemical Society 239
2010
Water and ionic exchange between interlayer and microporosity from molecular dynamics simulation
Eric Giffaut , Virginie Marry , Pierre Turq , Benjamin Rotenberg
Enchanted Clays – the 44th annual meeting of the Clay Minerals Society
2007
Filming atomic motions in liquids.
Stanislas Pommeret , Savo Bratos , Michael Wulff , Guilhem Gallot
Acta Chimica Slovenica 58 ( 3) 434
2011
Liquid water dynamical partial charges and infrared intensities
Rodolphe Vuilleumier
1
2008
La physique de l'eau liquide
Bernard Cabane , Rodolphe Vuilleumier
Lettre de l'Academie des Sciences et du CADAS 7
2005
Insight into the Li2CO3-K2CO3 eutectic mixture from classical molecular dynamics: Thermodynamics, structure, and dynamics.
François-Xavier Coudert , Dario Corradini , Dario Corradini , Dario Corradini
Journal of Chemical Physics 144 ( 10) 104507 -104507
18
2016
Challenges in first-principles NPT molecular dynamics of soft porous crystals: a case study on MIL-53(Ga).
Volker Haigis , François-Xavier Coudert , Anne Boutin , Yacine Belkhodja
Journal of Chemical Physics 141 ( 6) 064703
21
2014
The MgCO3-CaCO3-Li2CO3-Na2CO3-K2CO3 melts: Thermodynamics and transport properties by atomistic simulations.
Elsa Desmaele , Rodolphe Vuilleumier , Bertrand Guillot , Nicolas Sator
Journal of Chemical Physics 150 ( 21) 214503
3
2019
Double differential cross sections for liquid water ionization by fast electron impact
Maria Laura de Sanctis , Marie-Françoise Politis , Rodolphe Vuilleumier , Carlos R. Stia
European Physical Journal D 71 ( 5) 125
2017
Computing three-dimensional densities from force densities improves statistical efficiency
Samuel W. Coles , Daniel Borgis , Rodolphe Vuilleumier , Benjamin Rotenberg
Journal of Chemical Physics 151 ( 6) 064124
9
2019
An Extended Empirical Valence Bond Model for Describing Proton Mobility in Water
Rodolphe Vuilleumier , Daniel Borgis
Israel Journal of Chemistry 39 ( 3-4) 457 -467
31
1999
Ab Initio Molecular Dynamics Simulations to Interpret the Molecular Fragmentation Induced in Deoxyribose by Synchrotron Soft X-Rays
Marie-Anne Hervé du Penhoat , Anis Hamila , Marie-Pierre Gaigeot , Rodolphe Vuilleumier
Quantum Beam Science 3 ( 4) 24
2019
Rücktitelbild: VCD‐Verstärkung durch chirale Packungseffekte in molekularen Kristallen (Angew. Chem. 40/2018)
Sascha Jähnigen , Arne Scherrer , Rodolphe Vuilleumier , Daniel Sebastiani
Angewandte Chemie 130 ( 40) 13534 -13534
2018
VCD‐Verstärkung durch chirale Packungseffekte in molekularen Kristallen
Sascha Jähnigen , Arne Scherrer , Rodolphe Vuilleumier , Daniel Sebastiani
Angewandte Chemie 130 ( 40) 13528 -13532
2018
Daniel Borgis Marie-Pierre Gaigeot, Professor marie-françoise Politis Riccardo Spezia Ivano Tavernelli Benjamin Rotenberg Anne Boutin François-Xavier Coudert Antonino Marco Saitta Guillaume Ferlat Giovanni Ciccotti Mathieu Salanne Manuel Alcami Gleb S. Pokrovski Fernando Martin Garcia Federica Agostini Marie-Laure Bocquet Dario Corradini Michele Casula Jochen Blumberger