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The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction path

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (37), p.20164-20174

2014

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L'histoire portuaire marseillaise en chantier: Espaces, fonctions et représentations

2021

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L'histoire portuaire marseillaise en chantier

2021

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Molecular dynamic simulations of the binary complex of human tissue factor (TF1‐242) and factor VIIa (TF1‐242/FVIIa) on a 4:1 POPC/POPS lipid bilayer

Journal of thrombosis and haemostasis, 2012-11, Vol.10 (11), p.2402-2405

2012

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Characterization of the Weak SS Bonds in the OSSSO and O2SSSO2 Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-07, Vol.113 (30), p.8677-8682

2009

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An Atomic Model for the Pleated β-Sheet Structure of A β Amyloid Protofilaments

Biophysical journal, 1999-06, Vol.76 (6), p.2871-2878

1999

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Écrire l’histoire environnementale au xxie siècle: Sources, méthodes, pratiques

2022

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Experimental and Theoretical Analysis of the Reorientational Dynamics of Fullerene C70 in Various Aromatic Solvents

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-05, Vol.112 (18), p.4186-4193

2008

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Molecular dynamics simulation studies on Ca2+-induced conformational changes of annexin I

Protein engineering, design and selection, 2008-02, Vol.21 (2), p.115-120

2008

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The electron localization function description of aromaticity in five-membered rings

Chemical physics, 2000-02, Vol.253 (1), p.1-11

2000

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The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction pathElectronic supplementary information (ESI) available: Tables of frequencies energies and validation calculations. See DOI: 10.1039/c4cp02160f

2014-08

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The pair density description of aromaticity in some substituted cyclopentadienyl systems: a comparison of AIM and ELF bonding descriptors

Chemical physics, 2000-07, Vol.257 (2), p.175-181

2000

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Analysis of the spin-lattice relaxation rate and reorientational dynamics of fullerene C70 in chlorobenzene-d5

Journal of molecular liquids, 2005-02, Vol.116 (3), p.139-146

2005

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Perturbative perspectives on the chemical reaction prediction problem

International journal of quantum chemistry, 2005, Vol.101 (5), p.520-534

2005

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Density functional theory derived intermediates from the OH initiated atmospheric oxidation of toluene

Chemical physics letters, 1995-10, Vol.245 (1), p.119-122

1995

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An Example Where Orbital Relaxation Is an Important Contribution to the Fukui Function

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-02, Vol.109 (6), p.1146-1151

2005

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An ELF and AIM study of a model charge resonance complex: intermolecular interactions between two strong electron acceptors

Chemical physics, 2002-05, Vol.278 (2), p.101-110

2002

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Characterization of the Weak SS Bonds in the OSSSO and O 2 SSSO 2 Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-07, Vol.113 (30), p.8677-8682

2009

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Experimental and Theoretical Analysis of the Reorientational Dynamics of Fullerene C 70 in Various Aromatic Solvents

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-05, Vol.112 (18), p.4186-4193

2008

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Computational screening and design of S100B ligand to block S100B–p53 interaction

Journal of molecular graphics & modelling, 2009-06, Vol.27 (8), p.969-977

2009

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Investigation of the correlation between the energy of the highest occupied molecular orbital (HOMO) and the logarithm of the OH rate constant of hydrofluorocarbons and hydrofluoroethers

International journal of chemical kinetics, 1994-09, Vol.26 (9), p.913-920

1994

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Deuterium and its role in the machinery of evolution

Journal of theoretical biology, 2006-02, Vol.238 (4), p.914-918

2006

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Density Functional Theory-Based Prediction of the Formation Constants of Complexes of Ammonia in Aqueous Solution: Indications of the Role of Relativistic Effects in the Solution Chemistry of Gold(I)

Inorganic chemistry, 2005-10, Vol.44 (20), p.7175-7183

2005

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Selected New Developments in Computational Chemistry

Environmental health perspectives, 1996-03, Vol.104 (suppl 1), p.69-74

1996

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Selected New Developments in Computational Chemistry

Environmental health perspectives, 1996-03, Vol.104, p.69

1996

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The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction path

L'histoire portuaire marseillaise en chantier: Espaces, fonctions et représentations

L'histoire portuaire marseillaise en chantier

Molecular dynamic simulations of the binary complex of human tissue factor (TF1‐242) and factor VIIa (TF1‐242/FVIIa) on a 4:1 POPC/POPS lipid bilayer

Characterization of the Weak SS Bonds in the OSSSO and O2SSSO2 Molecules

An Atomic Model for the Pleated β-Sheet Structure of A β Amyloid Protofilaments

Écrire l’histoire environnementale au xxie siècle: Sources, méthodes, pratiques

Experimental and Theoretical Analysis of the Reorientational Dynamics of Fullerene C70 in Various Aromatic Solvents

Molecular dynamics simulation studies on Ca2+-induced conformational changes of annexin I

The electron localization function description of aromaticity in five-membered rings

The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction pathElectronic supplementary information (ESI) available: Tables of frequencies energies and validation calculations. See DOI: 10.1039/c4cp02160f

The pair density description of aromaticity in some substituted cyclopentadienyl systems: a comparison of AIM and ELF bonding descriptors

Analysis of the spin-lattice relaxation rate and reorientational dynamics of fullerene C70 in chlorobenzene-d5

Perturbative perspectives on the chemical reaction prediction problem

Density functional theory derived intermediates from the OH initiated atmospheric oxidation of toluene

An Example Where Orbital Relaxation Is an Important Contribution to the Fukui Function

An ELF and AIM study of a model charge resonance complex: intermolecular interactions between two strong electron acceptors

Characterization of the Weak SS Bonds in the OSSSO and O 2 SSSO 2 Molecules

Experimental and Theoretical Analysis of the Reorientational Dynamics of Fullerene C 70 in Various Aromatic Solvents

Computational screening and design of S100B ligand to block S100B–p53 interaction

Investigation of the correlation between the energy of the highest occupied molecular orbital (HOMO) and the logarithm of the OH rate constant of hydrofluorocarbons and hydrofluoroethers

Deuterium and its role in the machinery of evolution

Density Functional Theory-Based Prediction of the Formation Constants of Complexes of Ammonia in Aqueous Solution: Indications of the Role of Relativistic Effects in the Solution Chemistry of Gold(I)

Selected New Developments in Computational Chemistry

Selected New Developments in Computational Chemistry

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