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Xavier Assfeld

Observed names: Assfeld X, Assfeld, X., Assfeld, Xavier, X Assfeld, X. Assfeld
Observed institutions: École Normale Supérieure de Lyon, Centre National de la Recherche Scientifique, University of Minnesota, Universitat de Lleida, University of Milan, Universidad de Zaragoza, Italian Institute of Technology, Laboratoire de Chimie Théorique, Laboratoire de Chimie, Centrum Badań Molekularnych i Makromolekularnych Polskiej Akademii Nauk, Laboratoire de Physique et Chimie Théoriques, Université Henri Poincaré, Université Nancy-II, Université de Lorraine, Universitat Politècnica de Catalunya, Polish Academy of Sciences
ORCID: 0000-0003-4227-6825
Observed ORCID: 0000-0003-4227-6825
OpenAlex ID: A5003464837
Quantum chemical computations on parts of large molecules: the ab initio local self consistent field method
1996 · Xavier Assfeld, Jean-Louis Rivail · Chemical Physics Letters · 305
Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character
2014 · Thibaud Etienne, Xavier Assfeld, et al. · Journal of Chemical Theory and Computation · 182
A new record excited state 3 MLCT lifetime for metalorganic iron( ii ) complexes
2016 · Li Liu, Thibaut Duchanois, et al. · Physical Chemistry Chemical Physics · 176
An Iron‐Based Photosensitizer with Extended Excited‐State Lifetime: Photophysical and Photovoltaic Properties
2015 · Thibaut Duchanois, Thibaud Etienne, et al. · European Journal of Inorganic Chemistry · 168
Solvent effects on the mechanism and selectivities of asymmetric Diels-Alder reactions
1993 · M. F. Ruiz-Lopez, X. Assfeld, et al. · Journal of the American Chemical Society · 153
New Insight into the Topology of Excited States through Detachment/Attachment Density Matrices-Based Centroids of Charge
2014 · Thibaud Etienne, Xavier Assfeld, et al. · Journal of Chemical Theory and Computation · 145
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method
2002 · Nicolas Ferré, Xavier Assfeld, et al. · Journal of Computational Chemistry · 143
Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins
2006 · Denis Jacquemin, Eric A. Perpète, et al. · The Journal of Chemical Physics · 133
Theoretical Modeling of Large Molecular Systems. Advances in the Local Self Consistent Field Method for Mixed Quantum Mechanics/Molecular Mechanics Calculations
2012 · Antonio Monari, Jean-Louis Rivail, et al. · Accounts of Chemical Research · 124
NHC-Based Iron Sensitizers for DSSCs
2018 · Thibaut Duchanois, Li Liu, et al. · Inorganics · 93
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Lipid Peroxidation in Membranes: The Peroxyl Radical Does Not “Float”
2014 · Julian Garrec, Antonio Monari, et al. · The Journal of Physical Chemistry Letters · 88
A theoretical study of Ru(II) polypyridyl DNA intercalators
2010 · David Ambrosek, Pierre-François Loos, et al. · Journal of Inorganic Biochemistry · 74
Heteroleptic Pyridyl‐Carbene Iron Complexes with Tuneable Electronic Properties
2014 · Thibaut Duchanois, Thibaud Etienne, et al. · European Journal of Inorganic Chemistry · 72
The geometries, absorption and fluorescence wavelengths of solvated fluorescent coumarins: A CIS and TD-DFT comparative study
2007 · Denis Jacquemin, Eric A. Perpète, et al. · Chemical Physics Letters · 70
Experimental and theoretical study of the influence of the solvent on asymmetric diels—alder reactions
1992 · C. Cativiela, J. I. Garcia, et al. · Journal of Physical Organic Chemistry · 70
Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level
2015 · Elise Dumont, Meilani Wibowo, et al. · The Journal of Physical Chemistry Letters · 66
An Experimental and Theoretical Study of the 13C and 31P Chemical Shielding Tensors in Solid O-Phosphorylated Amino Acids
2003 · Marek J. Potrzebowski, Xavier Assfeld, et al. · Journal of the American Chemical Society · 64
Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru(dppz)(bpy)2]2+
2012 · Thibaut Very, Stéphane Despax, et al. · Physical Chemistry Chemical Physics · 61
Application of the local self-consistent-field method to core-ionized and core-excited molecules, polymers, and proteins: True orthogonality between ground and excited states
2002 · Nicolas Ferré, Xavier Assfeld · The Journal of Chemical Physics · 61
Interfacial charge separation and photovoltaic efficiency in Fe( ii )–carbene sensitized solar cells
2016 · Mariachiara Pastore, Thibaut Duchanois, et al. · Physical Chemistry Chemical Physics · 60
A QM/MM study on the spinach plastocyanin: Redox properties and absorption spectra
2011 · Antonio Monari, Thibaut Very, et al. · Computational and Theoretical Chemistry · 60
Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory
2014 · Thibaut Véry, David Ambrosek, et al. · Chemistry - A European Journal · 59
Theoretical Study of New Ruthenium-Based Dyes for Dye-Sensitized Solar Cells
2011 · Antonio Monari, Xavier Assfeld, et al. · The Journal of Physical Chemistry A · 59
Spectral properties of self-assembled squaraine–tetralactam: a theoretical assessment
2009 · Denis Jacquemin, Eric A. Perpète, et al. · Physical Chemistry Chemical Physics · 59
Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy To Unravel Complex Structures
2016 · Hugo Gattuso, Angelo Spinello, et al. · The Journal of Physical Chemistry B · 58
Works count: 175
Citation count: 4,659
H-index: 37
I10-index: 99
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