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Martial Boggio‐Pasqua

Observed names: Boggio-Pasqua, M., Boggio-Pasqua, Martial, Boggio‐Pasqua, Martial, M Boggio-Pasqua, M. BOGGIO-PASQUA, M. Boggio-Pasqua, Martial Boggio-Pasqua, Martial Boggio-pasqua
Observed institutions: Centre National de la Recherche Scientifique, Université Toulouse III - Paul Sabatier, Université de Bordeaux, King's College London, Humboldt-Universität zu Berlin, Institut des Sciences Moléculaires, Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes, Max Planck Institute for Biophysical Chemistry, British American Tobacco (Germany), Laboratoire de Chimie et Physique Quantiques, Université Bordeaux-I, Université de Toulouse, Université Henri Poincaré, Gaussian, Inc. (United States), Imperial College London, University of Göttingen, Ludwig-Maximilians-Universität München, University of Bologna
ORCID: 0000-0001-6684-5223
Observed ORCID: 0000-0001-6684-5223
OpenAlex ID: A5071347694
A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules
2020 · Pierre-François Loos, Filippo Lipparini, et al. · Journal of Chemical Theory and Computation · 219
Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments
2021 · Rudraditya Sarkar, Martial Boggio-Pasqua, et al. · Journal of Chemical Theory and Computation · 211
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Can Diarylethene Photochromism Be Explained by a Reaction Path Alone? A CASSCF Study with Model MMVB Dynamics
2003 · Martial Boggio-Pasqua, Marcella Ravaglia, et al. · The Journal of Physical Chemistry A · 186
Reference Energies for Double Excitations
2019 · Pierre-François Loos, Martial Boggio-Pasqua, et al. · Journal of Chemical Theory and Computation · 185
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Ultrafast Deactivation of an Excited Cytosine−Guanine Base Pair in DNA
2007 · Gerrit Groenhof, Lars V. Schäfer, et al. · Journal of the American Chemical Society · 174
QUESTDB : A database of highly accurate excitation energies for the electronic structure community
2021 · Mickaël Véril, Anthony Scemama, et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 167
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Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory
2013 · Renaud Ruamps, Rémi Maurice, et al. · Journal of the American Chemical Society · 163
Intramolecular Charge Transfer in 4-Aminobenzonitriles Does Not Necessarily Need the Twist
2005 · Isabel Gómez, Mar Reguero, et al. · Journal of the American Chemical Society · 146
Ultrafast Deactivation Channel for Thymine Dimerization
2007 · Martial Boggio-Pasqua, Gerrit Groenhof, et al. · Journal of the American Chemical Society · 134
Relaxation Dynamics in Photoexcited Chiral Molecules Studied by Time-Resolved Photoelectron Circular Dichroism: Toward Chiral Femtochemistry
2016 · Antoine Comby, Samuel Beaulieu, et al. · The Journal of Physical Chemistry Letters · 124
Chromophore Protonation State Controls Photoswitching of the Fluoroprotein asFP595
2008 · Lars V. Schäfer, Gerrit Groenhof, et al. · PLoS Computational Biology · 103
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Photoswitching of the Fluorescent Protein asFP595: Mechanism, Proton Pathways, and Absorption Spectra
2006 · Lars V. Schäfer, Gerrit Groenhof, et al. · Angewandte Chemie International Edition · 101
Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Exotic Molecules and Radicals
2020 · Pierre-François Loos, Anthony Scemama, et al. · Journal of Chemical Theory and Computation · 92
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A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene
2004 · Martial Boggio-Pasqua, Michael J. Bearpark, et al. · The Journal of Chemical Physics · 87
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Arginine52 Controls the Photoisomerization Process in Photoactive Yellow Protein
2008 · Gerrit Groenhof, Lars V. Schäfer, et al. · Journal of the American Chemical Society · 85
Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies
2022 · Rudraditya Sarkar, Pierre-François Loos, et al. · Journal of Chemical Theory and Computation · 83
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Theoretical Characterization of the Lowest Triplet Excited States of the Tris-(1,4,5,8-tetraazaphenanthrene) Ruthenium Dication Complex
2008 · Fabienne Alary, Martial Boggio-Pasqua, et al. · Inorganic Chemistry · 82
Hydrogen Bonding Controls Excited-State Decay of the Photoactive Yellow Protein Chromophore
2009 · Martial Boggio-Pasqua, Michael A. Robb, et al. · Journal of the American Chemical Society · 80
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Dihydroazulene/Vinylheptafulvene Photochromism: A Model for One-Way Photochemistry via a Conical Intersection
2002 · Martial Boggio-Pasqua, Michael J. Bearpark, et al. · Journal of the American Chemical Society · 77
Spin-orbit effects on the photophysical properties of Ru(bpy)32+
2009 · Jean-Louis Heully, Fabienne Alary, et al. · The Journal of Chemical Physics · 74
Reversing the relative 3 MLCT– 3 MC order in Fe( ii ) complexes using cyclometallating ligands: a computational study aiming at luminescent Fe( ii ) complexes
2015 · Isabelle M. Dixon, Fabienne Alary, et al. · Dalton Transactions · 69
The (N4C2)2– Donor Set as Promising Motif for Bis(tridentate) Iron(II) Photoactive Compounds
2013 · Isabelle M. Dixon, Fabienne Alary, et al. · Inorganic Chemistry · 58
Photochemical reactions in biological systems: probing the effect of the environment by means of hybrid quantum chemistry/molecular mechanics simulations
2012 · Martial Boggio-Pasqua, Carl F. Burmeister, et al. · Physical Chemistry Chemical Physics · 58
CASSCF calculations for photoinduced processes in large molecules: Choosing when to use the RASSCF, ONIOM and MMVB approximations
2007 · Michael J. Bearpark, Francois Ogliaro, et al. · Journal of Photochemistry and Photobiology A Chemistry · 58
Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes
2017 · Andrew J. Atkins, Francesco Talotta, et al. · Journal of Chemical Theory and Computation · 57
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Works count: 163
Citation count: 4,655
H-index: 38
I10-index: 84
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