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 TitleAuthors / EditorsDate
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Très forte séparation de l'état fondamental 6S5/2 du Mn2+ dans des boracites de Cl, Br et I en phase cubique Rivera, Jean-Pierre; Bill, Hans; Weber, Jacques; Hochstrasser, R. Lacroix G.; Schmid, Hans 1974
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Jahn-Teller distortion and electronic structure of the O- center in CaF2: an MS Xα study Weber, Jacques; Bill, Hans 1977
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Dynamic representation of quantum chemical results using computer-graphics - molecular-rearrangements, art or science Weber, Jacques; Roch, M.; Combremont, J. J.; Vogel, Pierre; Carrupt, Pierre-Alain 1983
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Dynamic molecular modeling. The case of rearranging polycyclic C8H9 cations Jefford, Charles; Mareda, Jiri; Combremont, Jean Jacques; Weber, Jacques 1984
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The Electronic Structures of Bis(η6-benzene)- and Bis(η6-naphthalene)chromium(0) Weber, Jacques; Kundig, Ernst Peter; Goursot, Annick; Penigault, Edouard 1985
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Dynamic modeling of chemical-reactions : the diels-alder cycloaddition Weber, Jacques; Mottier, D.; Carrupt, Pierre-Alain; Vogel, Pierre 1987
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Dynamic Modeling of Diels-Alder Reaction Using Computer-Graphics Mottier, D.; Weber, Jacques; Carrupt, Pierre-Alain; Vogel, Pierre 1987
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Structure and analysis of the binding energy of the copper carbonyl ion (CuCO+) complex: an ab initio study Morgantini, Pierre-Yves; Weber, Jacques 1988
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The modeling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques Weber, Jacques; Flükiger, Peter; Morgantini, Pierre-Yves; Schaad, Olivier; ... Daul, Claude 1988
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Theoretical and ESR/ENDOR single-crystal study of an azaallyl radical Reddy, Malledi V. V. S.; Celalyan-Berthier, Alice; Geoffroy, Michel; Morgantini, Pierre-Yves; ... Bernardinelli, Gérald Hugues 1988
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Electronic structure of Cr3+ in Cs2NaYCl6 and Cs2NaYBr6 lattices. Electron-paramagnetic resonance and electron-nuclear double resonance measurements and multiple scattering X α calculations Monnier, Alain; Chambaz, Daniel; Bill, Hans; Güdel, Hans-Ulrich; Weber, Jacques 1989
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Modeling of organometallic reactivity using a combination of extended Hueckel and molecular graphics techniques Morgantini, Pierre-Yves; Flükiger, Peter; Weber, Jacques; Kundig, Ernst Peter 1990
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Comparison of the Performances of the Gaussian and Cadpac-Abinitio Program Packages on Different Computers Bally, T.; Carrupt, Pierre-Alain; Weber, Jacques 1991
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Base hydrolysis of acidato pentaamine complexes with inert metal centers: electronic structure of the intermediates, requirements for their formation, and the unique reactivity of the complexes of cobalt(III) Rotzinger, François P.; Weber, Jacques; Daul, Claude 1991
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Recent developments in molecular graphics : visualization of chemical structures and properties Weber, Jacques; Morgantini, Pierre-Yves; Fluekiger, Peter Frank; Goursot, Annick 1991
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Calculation and visualization of a reactivity index for organometallics based on the extended Hückel model Weber, Jacques; Fluekiger, Peter Frank; Stussi, Dominique; Morgantini, Pierre-Yves 1991
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Structural investigations and modeling of cavities in clathrates Pang, Li; Lucken, Edwin-Anthony; Weber, Jacques; Bernardinelli, Gérald Hugues 1991
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Molecular graphics and chemistry Weber, Jacques; Flükiger, Peter; Morgantini, Pierre-Yves 1992
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Development and applications of an extended-Hückel-based reactivity index for organometallic complexes Weber, Jacques; Stussi, Dominique; Flükiger, Peter; Morgantini, Pierre-Yves; Kundig, Ernst Peter 1992
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Theoretical study of oxyhemocyanin active site: a possible insight on the first step of phenol oxidation by tyrosinase Eisenstein, Odile; Giessner-Prettre, Claude; Maddaluno, J.; Stussi, Dominique; Weber, Jacques 1992
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