B. Lévy

发表

Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.

J. Paul Robinson, S. Boutet, M. Field, 2018, Nature chemistry.

Relation between pH, structure, and absorption spectrum of Cerulean: A study by molecular dynamics and TD DFT calculations

F. Mérola, G. Vallverdu, H. Pasquier, 2010, Proteins.

A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method

B. Roos, P. Siegbahn, B. Lévy, 1980 .

Double-core ionization and excitation above the sulphur K-edge in , and

M. Gaveau, B. Lévy, C. Reynaud, 1996 .

Quantum effects in biological electron transfer.

B. Sanders, D. Salahub, N. Babcock, 2012, Physical chemistry chemical physics : PCCP.

QM/MM study of l-lactate oxidation by flavocytochrome b2.

F. Lederer, V. Moliner, B. Lévy, 2016, Physical chemistry chemical physics : PCCP.

Electron transfer, decoherence, and protein dynamics: insights from atomistic simulations.

B. Lévy, F. Cailliez, A. de la Lande, 2015, Accounts of chemical research.

Effective atomic charges in alanine dipeptide

J. Ridard, B. Lévy, 1999 .

Robust and Efficient Constrained DFT Molecular Dynamics Approach for Biochemical Modeling.

B. Lévy, I. Demachy, J. Řezáč, 2012, Journal of chemical theory and computation.

Localization and Relocalization in Orbital Theories

B. Lévy, P. Millié, G. Berthier, 1975 .

Collision broadening of the 4s4p(3P0)-4s5s(3S) line of calcium perturbed by hydrogen and collision induced transitions among the 4s4p(3P0) states

B. Lévy, G. Chambaud, N. Feautrier, 1991 .

On the dependence of the energy given by a CI limited to double substitutions with respect to the number of electrons

W. Kutzelnigg, B. Lévy, G. Berthier, 1977 .

Generalized brillouin theorem for multiconfigurational SCF theories

Bernard Levy, B. Lévy, G. Berthier, 1968 .

CaH* potential curves: a simple theoretical treatment of intershell effects

B. Lévy, G. Chambaud, 1989 .

Best Choice for the Coupling Operators in the Open‐Shell and Multiconfiguration SCF Methods

B. Lévy, 1968 .

Theory of Orbital Optimisation in SCF and MCSCF Calculations

J. Ridard, B. Lévy, C. Chavy, 1996 .

On the determination of effective one‐electron Hamiltonians to be used for studying large molecules

B. Lévy, M. Couty, 1994 .

Ab Initio second-order perturbation calculations for excited and ionized states of benzene isomers

B. Lévy, P. Millié, G. Berthier, 2009 .

Valence-bond calculations with polarized atomic orbitals

P. Pernot, B. Lévy, G. Chambaud, 1984 .

A quadratically convergent SCF procedure

B. Lévy, R. Subra, J. Douady, 1979 .

PAO calculations of the a3II, b3σ− and d3II states of CH+

F. D. Coarer, J. Ridard, B. Lévy, 1985 .

SCF CI calculations of the K-shell ionization potential of carbon in methane and in the fluoromethanes

J. Ridard, B. Lévy, P. Millié, 1974 .

Toward a qualitative understanding of the initial electron transfer site in Dawson-type heteropolyanions

B. Keita, B. Lévy, Y. Jean, 2002 .

Calculation of the nuclear magnetic shielding of 29Si, 31P, 33S and 35Cl using a pseudo-potential method

J. Ridard, B. Lévy, P. Millié, 1978 .

Ab initio Hartree-Fock instabilities in closed-shell molecular systems

B. Lévy, G. Chambaud, P. Millié, 1978, Theoretica chimica acta.

Reduced‐diabatic vibrational close coupled treatment of molecular dissociation dynamics

P. Pernot, B. Lévy, J. A. Beswick, 1988 .

Coupling of geminal protons in nuclear magnetic resonance

B. Lévy, P. Millié, C. Barbier, 1972 .

Difficulties in the computation of physical observables due to a truncated CI

B. Lévy, A. Meunier, 1979 .

Molecular Valence States and Binding Energies

B. Lévy, G. Berthier, P. Vermeulin, 1976 .

Computational experiments on dichroic effects in acetaldehyde

B. Lévy, P. Millié, F. Pauzat, 1980 .

Estimate of Ti effects on D-D fusion

J. G. Esteve, B. Lévy, G. Chambaud, 1991 .

Charge exchange and fine-structure excitation in O-H + collisions

È. Roueff, B. Lévy, G. Chambaud, 1980 .

Non-empirical interpretation of nitrogen 14 nuclear quadropole coupling constants

J. Lehn, B. Lévy, E. Kochanski, 1979 .

Ab initio study of the electronic structure and hyperfine coupling properties in simple hydrocarbon radicals. II. Short‐range and long‐range interactions in alkyl free radicals

B. Lévy, P. Millié, G. Berthier, 1975 .

Nitrogen nuclear quadrupole coupling constants in heterocyclic molecules from ab initio molecular-orbital wavefunctions

J. Lehn, B. Lévy, E. Kochanski, 1969 .

New insights into the mechanism of electron transfer within flavohemoglobins: tunnelling pathways, packing density, thermodynamic and kinetic analyses.

Jan Řezáč, Isabelle Demachy, B. Lévy, 2012, Physical chemistry chemical physics : PCCP.

Double core excitation at the sulfur K edge in H2S, SO2 and SF6

M. Gaveau, B. Lévy, C. Reynaud, 1996 .

Ab initio calculation of the lowest ionization potential and transition energies of methane

B. Lévy, F. Pauzat, F. Ridard, 1972 .

Ring-strain-modified properties of substituted perylene radical cation salts. A solid-state carbon-13 CPMAS NMR study

P. Bernier, B. Lévy, A. Moradpour, 1990 .

A simple determination of the potential energy curves and couplings for long-range charge-transfer reactions. Application to the system (ArN2)+

B. Lévy, P. Archirel, 1986 .

Theoretical study of the He++N2 → He+N2+(C) reaction

B. Lévy, P. Millié, T. Govers, 1983 .

Ab initio study of the potential energy surfaces for the reaction N(4Su +CH(X 2IIr) → CN(X 2Σ+, A 2IIi + H(2Sg)

B. Lévy, P. Millié, J. Rayez, 1994 .

Potential energy curves of (HeNe)2+. Electronic couplings and transition dipole moment calculations

B. Lévy, G. Chambaud, E. Mercier, 1985 .

Bond formation between positively charged species. Non-adiabatic analysis and valence-bond model in the CO2+ case

B. Lévy, P. Archirel, N. Levasseur, 1991 .

Calculations of specific mass shifts in Li+(1s2) and Li(1s22s, 1s22p)

B. Lévy, G. Chambaud, D. Stacey, 1984 .

Transfer of electronic excitation: The Arh system

P. Pernot, B. Lévy, G. Chambaud, 1985 .

Theoretical investigation of the dissociation of OCS2+ in the process OCS(X 1Σ+) + hv → OCS2+ → CO+ (X2Σ+) + S+ (4S)

J. Ridard, B. Lévy, P. Millié, 1988 .

Perturbation calculation of transition moments in the ArH+ system

B. Lévy, G. Chambaud, P. Millié, 1980 .

Relationship between orthogonalization and orbital localization procedures

B. Lévy, G. Berthier, 1977 .

Potential energy surface of H2O+: linear approach

B. Lévy, G. Chambaud, P. Millié, 1978 .

Theoretical study of the diffusion of large molecules in micro-heterogeneous media. The Smoluchovski approach

P. Pernot, B. Lévy, R. Pansu, 1993 .

The Single T65S Mutation Generates Brighter Cyan Fluorescent Proteins with Increased Photostability and pH Insensitivity

F. Mérola, M. Erard, H. Pasquier, 2012, PloS one.

Molecular MC–SCF calculations

B. Lévy, 1970 .

Multi-configuration self-consistent wavefunctions of formaldehyde

B. Lévy, 1969 .

The N2 problem in molecular CI calculations

B. Lévy, G. Berthier, A. Meunier, 1976 .

π-Stacking interactions in YFP, quantum mechanics and force field evaluations in the S 0 and S 1 states

J. Ridard, B. Lévy, I. Demachy, 2017 .

Excited State Dynamics of the Green Fluorescent Protein on the Nanosecond Time Scale.

F. Mérola, G. Vallverdu, J. Ridard, 2011, Journal of chemical theory and computation.

The electronic structure of N-methyl-3pyridone and its representation

B. Lévy, G. Berthier, L. Paoloni, 1970 .

Electron and Hydrogen Atom Transfers in the Hydride Carrier Protein EmoB.

V. Moliner, B. Lévy, I. Demachy, 2014, Journal of chemical theory and computation.

Analysis of NMR and EPR Coupling Constants Using Localized Orbitals

B. Lévy, P. Millié, R. Subra, 1975 .

All electron calculations of open‐shell polyatomic molecules. III. Perturbation treatment of the spin polarization in vinyl and methyl radicals

B. Lévy, P. Millié, G. Berthier, 1972 .

Ab initio determination of vibrational band intensities

B. Lévy, P. Millié, F. Pauzat, 1980 .

A, C, and D electronic states of the Ar–NO van der Waals molecule revisited: Experiment and theory

B. Lévy, N. Shafizadeh, M. Raoult, 1998 .

Ab initio Hartree-Fock instabilities in closed-shell molecular systems

B. Lévy, G. Chambaud, P. Millié, 1978 .

Photophysics and Spectroscopy of Fluorophores in the Green Fluorescent Protein Family

F. Mérola, H. Pasquier, B. Lévy, 2010 .

Cyan fluorescent protein carries a constitutive mutation that prevents its dimerization.

Marie Erard, Ronald Melki, F. Mérola, 2011, Biochemistry.

Mechanistic investigations of green mEos4b reveal a dynamic long-lived dark state.

V. Adam, D. Bourgeois, P. Dedecker, 2020, Journal of the American Chemical Society.

Cyan fluorescent protein: molecular dynamics, simulations, and electronic absorption spectrum.

Jacqueline Ridard, Isabelle Demachy, G. Vallverdu, 2005, The journal of physical chemistry. B.

Theoretical estimation of redox potential of biological quinone cofactors

Bernard Lévy, Aurélien de la Lande, Vicent Moliner, 2017, J. Comput. Chem..

Ab initio calculations of H2-H2 potential surfaces near the van der Waals minimum

B. Lévy, G. Chambaud, H. Lavendy, 1987 .

Theoretical determination of the intermolecular potentials of the C2-H2 system. Application to the collisional deexcitation of C2 in collisions with H2

È. Roueff, B. Lévy, G. Chambaud, 1991 .

Molecular simulation of a hydrated electron at different thermodynamic state points

B. Lévy, D. Borgis, A. Boutin, 2003 .

Transmission coefficients for chemical reactions with multiple states: role of quantum decoherence.

Barry C Sanders, Jan Řezáč, Dennis R Salahub, 2011, Journal of the American Chemical Society.

Double perturbation calculation of the Jgem nuclear spin-spin coupling constant of methane

B. Lévy, G. Berthier, C. Barbier, 1971 .

Exponential transformation of molecular orbitals: A quadratically convergent SCF procedure. I. General formulation and application to closed-shell ground states

B. Lévy, R. Subra, J. Douady, 1980 .

Orbital pair theory of N.M.R. shielding

J. Ridard, B. Lévy, 1981 .

Relation between pH, structure, and absorption spectrum of Cerulean: A study by molecular dynamics and TD DFT calculations

F. Mérola, G. Vallverdu, H. Pasquier, 2010, Proteins.

ππ*Transition of ethylene: electron correlation and Rydberg character

J. Ridard, B. Lévy, 1972 .

An optimized potential for phase equilibria calculation for ketone and aldehyde molecular fluids

B. Lévy, A. Boutin, D. Pattou, 2003 .

Correlation Effect in the Rotation Barrier of Ethane

B. Lévy, M. C. Moireau, 1971 .

Comparison between experimental and calculated core Compton profiles : failure of the impulse approximation

B. Lévy, G. Loupias, Y. Garreau, 1992 .

On the internal rotation in 1,3-butadiene

B. Lévy, B. Cadioli, U. Pincelli, 1972 .