J. Langlet

发表

A molecular mechanics/continuum reaction field investigation of the interactions between polar amino acid side chains in water and organic solvents

N. Gresh, C. Giessner-Prettre, J. Langlet, 1995 .

Photochemical cis-trans isomerization of s-trans-1,3-pentadiene. A theoretical study

J. Malrieu, J. Langlet, F. Momicchioli, 1977 .

Hydration and `inverse hydration' of platinum(II) complexes: an analysis using the density functionals PW91 and BLYP

J. Langlet, J. Caillet, J. Kozelka, 2001 .

Comparison of two ways to decompose intermolecular interactions for hydrogen-bonded dimer systems

J. Bergès, P. Reinhardt, J. Langlet, 2003 .

Geometries of excited states of small polyenes

J. Malrieu, J. Langlet, 1974 .

Interactions between nucleic acid bases in hydrogen bonded and stacked configurations: The role of the molecular charge distribution

P. Claverie, F. Caron, J. Langlet, 1981 .

Theoretical study of the self-association of amphotericin B.

J. Bergès, J. Langlet, J. Caillet, 1995, Biochimica et biophysica acta.

Delocalized and localized pictures of excited and ionized states

J. Malrieu, J. Langlet, A. Denis, 1975 .

Intermolecular Interactions in an External Electric Field: Application to the Analysis of the Evaluation of Interaction Energies from Field Mass Spectrometry Experiments

P. Claverie, F. Caron, J. Langlet, 1981 .

Molecular complexes with interacting van der Waals and ionic excited states. 2. Electronic spectra of jet-cooled complexes

P. Claverie, P. Millié, F. Piuzzi, 1989 .

Stability, Ionization Potential and Electronic Affinity of Small Silver Clusters calculated in the LSD approximation

V. Russier, C. Mijoule, J. Langlet, 1992 .

Experimental and theoretical determination of the conformation of malic acid free radical

C. Giessner-Prettre, J. Langlet, F. Leterrier, 1971 .

Theoretical study of solvent effect on intramolecular proton transfer of glycine

J. Langlet, Y. Akacem, Emile Kassab, 2000 .

Theoretical study of the structure of the glutathione-hydrogen peroxide complex

J. Bergès, J. Langlet, J. Caillet, 1993 .

Self-Association of Amphotericin B in Water. Theoretical Energy and Spectroscopy Studies

P. Millié, J. Langlet, J. Caillet, 1999 .

Theoretical study of the complexation of amphotericin B with sterols.

J. Bergès, J. Langlet, J. Caillet, 1994, Biochimica et biophysica acta.

Comparative theoretical study of the conformations of amphotericin methyl ester and amphotericin B polar heads in the presence of water.

J. Bergès, J. Langlet, J. Caillet, 1992, Biochimica et biophysica acta.

On the S-cis-S-trans isomerism of the cyclohexene ring with respect to the polyene chain in retinals, carotenoids, vitamins A and related compounds.

B. Pullman, J. Langlet, H. Berthod, 1969, Journal of theoretical biology.

Coupling Between Locally Excited and Charge Transfer States Of Jet Cooled Molecular Complexes

P. Claverie, F. Piuzzi, J. Langlet, 1987 .

Theoretical study of the proton magnetic resonance spectra of 11-cis-retinal in relation to the conformation of the molecule

C. Giessner-Prettre, J. Langlet, 1972 .

Potential energy curves and photochemical cis-trans isomerism in styrene

J. Langlet, F. Momicchioli, I. Baraldi, 1975 .

Extent of charge separation in suddenly polarized twisted excited states of linear polyenes

J. Malrieu, J. Langlet, F. Momicchioli, 1977 .

Calculation of molecular geometry with the PCILO-Method

J. Langlet, H. Meer, 1971 .

A quantum mechanical study of the geometry of two molecules related to vitamin a

J. Langlet, H. Meer, 1971 .

Extension of the PCILO-method to the localized free radicals

J. Malrieu, J. Langlet, M. Gilbert, 1971 .

Purine–water interactions in base stacking

P. Claverie, B. Pullman, C. Giessner-Prettre, 1980 .

Length dependence of excitation energies in linear polyenes: Localized and delocalized descriptions

A. Szabó, J. Malrieu, J. Langlet, 1976 .

An attempt to approach the solutions of the N-electron CNDO hamiltonian for conformational studies of conjugated systems

J. Malrieu, J. Langlet, J. Daudey, 1977 .

PCILO method for excited states IV. Localized Character of then→-7π* excitation of polyenic aldehydes

J. Langlet, 1975 .

Theoretical study of the geometrical arrangement of GT and GA wobble pairs in two short duplexes, Proton NMR chemical shifts and interaction energy calculations.

C. Giessner-Prettre, F. Caron, J. Langlet, 1984, Journal of theoretical biology.

Modeling of some structural and vibrational properties of CO : CO2 complexes in gas phase and embedded in solid argon

J. Langlet, M. Allavena, J. Caillet, 1999 .

A perturbational study of some hydrogen‐bonded dimers

Michel Caffarel, Jacqueline Langlet, M. Caffarel, 1995 .

Studies of solvent effects

P. Claverie, B. Pullman, J. Langlet, 1977 .

Studies of solvent effects. IV. Study of hydration of the dimethyl phosphate anion (DMP−) and of the solvent effect upon its conformation

P. Claverie, B. Pullman, J. Langlet, 2009 .

Studies of solvent effects. 1. Discrete, continuum, and discrete-continuum models and their comparison for some simple cases: ammonium(1+) ion, methanol, and substituted ammonium(1+) ion

P. Claverie, Bernard Pullman, M. Huron, 1978 .

Management of intussusception in infants and children.

J. Langlet, D. P. Chance, 1957, A.M.A. archives of surgery.

Improvements of the continuum model. 1. Application to the calculation of the vaporization thermodynamic quantities of nonassociated liquids

P. Claverie, P. Claverie, J. Caillet, 1988 .

Localized ab inito analysis of an electrocyclic reaction

J. Malrieu, J. Langlet, J. Daudey, 1974 .

Excited states of phenyl carbonyl compounds

J. Langlet, P. Gacoin, 1976 .

Theoretical determination of structural parameters for s-triazine and some derivatives. Comparison between ab initio and semi-empirical calculations

S. Creuzet, J. Langlet, 1993 .

About the first solvation shell of protonated hydrates: H3O+(H2O)6

R. Wiest, P. Wormer, J. Langlet, 1990 .

Orbital and excitonic descriptions of molecular excited and ionized states

J. Malrieu, J. Langlet, A. Denis, 1973 .

PCILO method for excited states

J. Langlet, 1972 .

Analysis of electrocyclic reactions using localized orbitals

J. Malrieu, J. Langlet, 1972 .

Molecular mechanics investigation of weak complexes: the case of CO:H2O

J. Langlet, M. Allavena, J. Caillet, 1998 .

Theoretical study of the association of glycine molecules on ionic crystals NaCl, KI, LiF in aqueous solution

R. Constanciel, J. Bergès, J. Langlet, 1992 .