Ab Initio Analysis of Water-Assisted Reaction Mechanisms in Amide Hydrolysis
Antonczak, S, Ruiz-Lopez, M. F, Rivail, J. L
Published in Journal of the American Chemical Society (01.05.1994)
Published in Journal of the American Chemical Society (01.05.1994)
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Journal Article
Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives)
Perczel, A, Angyan, J G, Kajtar, M, Viviani, W, Rivail, J-L, Marcoccia, J-F, Csizmadia, I G
Published in Journal of the American Chemical Society (31.07.1991)
Published in Journal of the American Chemical Society (31.07.1991)
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Journal Article
Water dimer in liquid water
Bertran, J., Ruiz-L pez, M. F., Rinaldi, D., Rivail, J. L.
Published in Theoretica Chimica Acta (01.11.1992)
Published in Theoretica Chimica Acta (01.11.1992)
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Journal Article
Electrostatic interactions in peptides. Polarisation effects due to an α-helix
Assfeld, Xavier, Ferré, Nicolas, Rivail, Jean-Louis
Published in Theoretical chemistry accounts (01.03.2004)
Published in Theoretical chemistry accounts (01.03.2004)
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PM3 study of cyclization of α- and β- d-glucosyl azides into 1,2-cyclic carbamates
Friant-Michel, P., Marsura, A., Kovacs, J., Pintér, I., Rivail, J.-L.
Published in Journal of molecular structure. Theochem (26.05.1997)
Published in Journal of molecular structure. Theochem (26.05.1997)
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A Comparison of Dielectric Measurement Methods for Liquids in the Frequency Range 1 GHz to 4 THz
Afsar, M. N., Bellemans, A., Birch, J. R., Chantry, G. W., Clarke, R. N., Cook, R. J., Finsy, R., Gottman, O., Goulon, J., Jones, R. G., Kaatze, U., Kestemont, E., Kilp, H., Mandel, M., Pottel, R., Rivail, J-L., Rosenberg, C. B., Van Loon, R.
Published in IEEE transactions on instrumentation and measurement (01.01.1980)
Published in IEEE transactions on instrumentation and measurement (01.01.1980)
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Computation of accurate electronic molecular polarizabilities
Voisin, Christophe, Cartier, Alain, Rivail, Jean Louis
Published in Journal of physical chemistry (1952) (01.10.1992)
Published in Journal of physical chemistry (1952) (01.10.1992)
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Influence of dispersion forces on the electronic structure of a solvated molecule
Rinaldi, Daniel, Costa Cabral, Benedito J., Rivail, Jean-Louis
Published in Chemical physics letters (18.04.1986)
Published in Chemical physics letters (18.04.1986)
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Journal Article
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method
Ferré, Nicolas, Assfeld, Xavier, Rivail, Jean-Louis
Published in Journal of computational chemistry (30.04.2002)
Published in Journal of computational chemistry (30.04.2002)
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