Jacqueline Langlet, Ph.D. - Publications

Chemistry Université Pierre et Marie Curie, Paris, Île-de-France, France 
Theoretical Chemistry

52 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2004 Langlet J, Bergès J, Reinhardt P. Decomposition of intermolecular interactions: Comparison between SAPT and density-functional decompositions Journal of Molecular Structure: Theochem. 685: 43-56. DOI: 10.1016/j.theochem.2004.05.007  0.8
2004 Langlet J, Bergès J, Reinhardt P. An interesting property of the Perdew-Wang 91 density functional Chemical Physics Letters. 396: 10-15. DOI: 10.1016/j.cplett.2004.07.093  0.8
2003 Langlet J, Caillet J, Bergés J, Reinhardt P. Comparison of two ways to decompose intermolecular interactions for hydrogen-bonded dimer systems Journal of Chemical Physics. 118: 6157-6166. DOI: 10.1063/1.1558473  0.8
2001 Bergès J, Caillet J, Langlet J, Kozelka J. Hydration and 'inverse hydration' of platinum(II) complexes: An analysis using the density functionals PW91 and BLYP Chemical Physics Letters. 344: 573-577. DOI: 10.1016/S0009-2614(01)00827-2  0.8
2000 Kassab E, Langlet J, Evleth E, Akacem Y. Theoretical study of solvent effect on intramolecular proton transfer of glycine Journal of Molecular Structure: Theochem. 531: 267-282. DOI: 10.1016/S0166-1280(00)00451-6  0.8
2000 Langlet J, Bergès J, Caillet J, Kozelka J. Hydration of platinum(II) complexes: A molecular mechanics study using atom-based force-field parameters Theoretical Chemistry Accounts. 104: 247-251.  0.8
1999 Dumas F, Fressigné C, Langlet J, Giessner-Prettre C. Theoretical Investigations of the Influence of Pressure on the Selectivity of the Michael Addition of Diphenylmethaneamine to Stereogenic Crotonates. The Journal of Organic Chemistry. 64: 4725-4732. PMID 11674545 DOI: 10.1021/Jo9825308  0.64
1999 Dumas F, Fressigné C, Langlet J, Giessner-Prettre C. Theoretical investigations of the influence of pressure on the selectivity of the Michael addition of diphenylmethaneamine to stereogenic cretenates Journal of Organic Chemistry. 64: 4725-4732. DOI: 10.1021/jo9825308  0.8
1999 Langlet J, Caillet J, Allavena M, Raducu V, Gauthier-Roy B, Dahoo R, Abouaf-Marguin L. Modelling of some structural and vibrational properties of CO : CO2 complexes in gas phase and embedded in solid argon Journal of Molecular Structure. 484: 145-159. DOI: 10.1016/S0022-2860(98)00911-9  0.8
1999 Millié P, Langlet J, Bergès J, Caillet J, Demaret JP. Self-Association of Amphotericin B in Water. Theoretical Energy and Spectroscopy Studies Journal of Physical Chemistry B. 103: 10883-10891.  0.8
1998 Langlet J, Caillet J, Allavena M. Molecular mechanics investigation of weak complexes: The case of CO:H2O Journal of Molecular Structure. 450: 69-78. DOI: 10.1016/S0022-2860(98)00414-1  0.8
1996 Bergès J, Abedinzadeh Z, Houée-Levin C, Conte D, Langlet J, Kassab E. Theoretical approaches of complexation of two sulfur-containing compounds: N-acetylcysteine and dimethyldisulfide radical Journal De Chimie Physique Et De Physico-Chimie Biologique. 93: 7-11.  0.8
1996 Raducu V, Gauthier-Roy B, Dahoo R, Abouaf-Marguin L, Langlet J, Caillet J, Allavena M. Conformational dynamics of the CO:CO2 complex in argon matrices. I. Thermodynamical considerations derived from the observed kinetics Journal of Chemical Physics. 105: 10092-10098.  0.8
1995 Caillet J, Bergés J, Langlet J. Theoretical study of the self-association of amphotericin B. Biochimica Et Biophysica Acta. 1240: 179-95. PMID 8541289 DOI: 10.1016/0005-2736(95)00169-7  0.8
1995 Langlet J, Gresh N, Giessner-Prettre C. A molecular mechanics/continuum reaction field investigation of the interactions between polar amino acid side chains in water and organic solvents Biopolymers. 36: 765-780. DOI: 10.1002/Bip.360360609  0.8
1995 Langlet J, Caillet J, Caffarel M. A perturbation al study of some hydrogen-bonded dimers The Journal of Chemical Physics. 103: 8043-8057.  0.8
1994 Langlet J, Bergès J, Caillet J, Demaret JP. Theoretical study of the complexation of amphotericin B with sterols. Biochimica Et Biophysica Acta. 1191: 79-93. PMID 8155687 DOI: 10.1016/0005-2736(94)90235-6  0.8
1994 Arroub J, Berges J, Abedinzadeh Z, Langlet J, Gardes-Albert M. On N-acetylcysteine. Part I. Experimental and theoretical approaches of the N-acetylcysteine/H2O2 complexation Canadian Journal of Chemistry. 72: 2094-2101.  0.8
1993 Creuzet S, Langlet J. Theoretical determination of structural parameters for s-triazine and some derivatives. Comparison between ab initio and semi-empirical calculations Chemical Physics Letters. 208: 511-516. DOI: 10.1016/0009-2614(93)87181-2  0.8
1993 Bergès J, Caillet J, Langlet J, Abedinzadeh Z. Theoretical study of the structure of the glutathione-hydrogen peroxide complex Theoretica Chimica Acta. 85: 87-99. DOI: 10.1007/BF01374579  0.8
1992 Meddeb S, Bergès J, Caillet J, Langlet J. Comparative theoretical study of the conformations of amphotericin methyl ester and amphotericin B polar heads in the presence of water. Biochimica Et Biophysica Acta. 1112: 266-72. PMID 1457458 DOI: 10.1016/0005-2736(92)90401-7  0.8
1992 Deprick-Côte B, Langlet J, Caillet J, Bergès J, Kassab E, Constanciel R. Theoretical study of the association of glycine molecules on ionic crystals NaCl, KI, LiF in aqueous solution - Application to the modification of growth habit Theoretica Chimica Acta. 82: 435-457. DOI: 10.1007/BF01129102  0.8
1990 Rahmouni A, Kochanski E, Wiest R, Wormer PES, Langlet J. About the first solvation shell of protonated hydrates: H3O + (H2O)6 The Journal of Chemical Physics. 93: 6648-6653.  0.8
1989 Castella M, Millie P, Piuzzi F, Caillet J, Langlet J, Claverie P, Tramer A. Molecular complexes with interacting van der Waals and ionic excited states. 1. Calculations of potential energy surfaces Journal of Physical Chemistry®. 93: 3941-3948.  0.8
1989 Castella M, Millié P, Piuzzi F, Caillet J, Langlet J, Claverie P, Tramer A. Molecular complexes with interacting van der Waals and ionic excited states. 2. Electronic spectra of jet-cooled complexes Journal of Physical Chemistry®. 93: 3949-3957.  0.8
1988 Langlet J, Claverie P, Caillet J, Pullman A. Improvements of the continuum model. 1. Application to the calculation of the vaporization thermodynamic quantities of nonassociated liquids Journal of Physical Chemistry. 92: 1617-1631.  0.8
1984 Giessner-Prettre C, Langlet J, Caron F. Theoretical study of the geometrical arrangement of GT and GA wobble pairs in two short duplexes, Proton NMR chemical shifts and interaction energy calculations. Journal of Theoretical Biology. 107: 211-28. PMID 6325825 DOI: 10.1016/S0022-5193(84)80023-5  0.8
1981 Langlet J, Claverie P, Caron F, Boeuve JC. Interactions between nucleic acid bases in hydrogen bonded and stacked configurations: The role of the molecular charge distribution International Journal of Quantum Chemistry. 20: 299-338. DOI: 10.1002/qua.560200204  0.8
1978 Claverie P, Daudey JP, Langlet J, Pullman B, Piazzola D, Huron MJ. Studies of solvent effects. 1. Discrete, continuum, and discrete-continuum models and their comparison for some simple cases: NH4 +, CH3OH, and substituted NH4 + Journal of Physical Chemistry. 82: 405-418.  0.8
1977 Baraldi I, Bruni MC, Momicchioli F, Langlet J, Malrieu JP. Photochemical cis-trans isomerization of s-trans-1,3-pentadiene. A theoretical study Chemical Physics Letters. 51: 493-500. DOI: 10.1016/0009-2614(77)85409-2  0.8
1977 Langlet J, Daudey JP, Malrieu JP. An attempt to approach the solutions of the N-electron CNDO hamiltonian for conformational studies of conjugated systems Chemical Physics Letters. 45: 481-486. DOI: 10.1016/0009-2614(77)80070-5  0.8
1977 Langlet J, Claverie P, Pullman B, Piazzola D, Daudey JP. Studies of solvent effects - III. Solvent effect on the conformation of acetylcholine Theoretica Chimica Acta. 46: 105-116. DOI: 10.1007/Bf00548086  0.8
1977 Bruni MC, Daudey JP, Langlet J, Malrieu JP, Momicchioli F. On the extent of charge separation in suddenly polarized twisted excited states of linear polyenes Journal of the American Chemical Society. 99: 3587-3596.  0.8
1976 Szabo A, Langlet J, Malrieu JP. Length dependence of excitation energies in linear polyenes: Localized and delocalized descriptions Chemical Physics. 13: 173-179. DOI: 10.1016/0301-0104(76)80021-3  0.8
1976 Langlet J, Gacoin P. Excited states of phenyl carbonyl compounds - Propiophenone Theoretica Chimica Acta. 42: 293-301. DOI: 10.1007/BF00548471  0.8
1975 Bruni MC, Momicchioli F, Baraldi I, Langlet J. Potential energy curves and photochemical cis-trans isomerism in styrene Chemical Physics Letters. 36: 484-488. DOI: 10.1016/0009-2614(75)80285-5  0.8
1975 Langlet J. PCILO method for excited states IV. Localized Character of the n→-7 π* excitation of polyenic aldehydes Theoretica Chimica Acta. 38: 199-210. DOI: 10.1007/BF01125898  0.8
1975 Denis A, Langlet J, Malrieu JP. Delocalized and localized pictures of excited and ionized states - II. Polarization of the valence shell under a core ionization Theoretica Chimica Acta. 38: 49-63. DOI: 10.1007/Bf01046556  0.8
1974 Langlet J, Malrieu JP. Geometries of excited states of small polyenes Theoretica Chimica Acta. 33: 307-321. DOI: 10.1007/BF00551158  0.8
1974 Daudey JP, Langlet J, Malrieu JP. Localized ab initio analysis of an electrocyclic reaction Journal of the American Chemical Society. 96: 3393-3397.  0.8
1973 Denis A, Langlet J, Malrieu JP. Orbital and excitonic descriptions of molecular excited and ionized states - I. Delocalization of the excitation Theoretica Chimica Acta. 29: 117-131. DOI: 10.1007/BF00529435  0.8
1973 Langlet J, Malrieu JP. PCILO method for excited states - II. 2nd order corrected transition energies Theoretica Chimica Acta. 30: 59-79. DOI: 10.1007/BF00527635  0.8
1972 Langlet J, Giessner-Prettre C. Theoretical study of the proton magnetic resonance spectra of 11-cis-retinal in relation to the conformation of the molecule Journal of Molecular Structure. 13: 317-326. DOI: 10.1016/0022-2860(72)85133-0  0.8
1972 Langlet J. PCILO method for excited states - I. Construction of the zeroth order wave-function for planar conjugated systems Theoretica Chimica Acta. 27: 223-242. DOI: 10.1007/BF01046367  0.8
1972 Langlet J, Malrieu JP. Analysis of electrocyclic reactions using localized orbitals Journal of the American Chemical Society. 94: 7254-7267.  0.8
1971 Langlet J, Van Der Meer H. A quantum mechanical study of the geometry of two molecules related to vitamin a Journal of Molecular Structure. 10: 91-99. DOI: 10.1016/0022-2860(71)87063-1  0.8
1971 Leterrier F, Capette J, Langlet J, Giessner-Prettre C, Berthod H. Experimental and theoretical determination of the conformation of malic acid free radical Journal of Molecular Structure. 10: 75-89. DOI: 10.1016/0022-2860(71)87062-X  0.8
1971 Langlet J, Meer H. Calculation of molecular geometry with the PCILO-Method Theoretica Chimica Acta. 21: 410-412. DOI: 10.1007/BF00528563  0.8
1971 Langlet J, Gilbert M, Malrieu JP. Extension of the PCILO-method to the localized free radicals Theoretica Chimica Acta. 22: 80-89. DOI: 10.1007/BF00527236  0.8
1970 Langlet J, Pullman B, Berthod H. Étude quantique de l'isomérisation s-cis-s-trans de l'anneau cyclohexéne par rapport à la chaîne polyénique dans le rétinal et l'acide β-ionylidène crotonique Journal of Molecular Structure. 6: 139-144. DOI: 10.1016/0022-2860(70)87006-5  0.8
1969 Pullman B, Langlet J, Berthod H. 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. Journal of Theoretical Biology. 23: 492-5. PMID 5806627 DOI: 10.1016/0022-5193(69)90034-4  0.8
1968 Pullman B, Berthod H, Langlet J. [On the tautomerism of purine and pyrimidine bases bringing in play the proton of the glycosides nitrogens]. Comptes Rendus Hebdomadaires Des SéAnces De L'AcadéMie Des Sciences. SéRie D: Sciences Naturelles. 266: 1063-5. PMID 4969196  0.76
Show low-probability matches.