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doc icon DUGiDocs 2000 C-H路路路O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, S铆lvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat C-H路路路O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, S铆lvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
media icon DUGiMedia 11 desembre 2008 Clausura del cicle de jornades Pedrerol, Marta ; Bou Vilanova, Albert ; Duran i Portas, Miquel
doc icon DUGiDocs 1996 A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
out url icon Recercat A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
out url icon Recercat 15 febrer 2020 A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
doc icon DUGiDocs novembre 2007 Comunicaci贸 cient铆fica, versi贸 2.0 Duran i Portas, Miquel
doc icon DUGiDocs 2005 Density functional energy decomposition into one- and two-atom contributions Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
out url icon Recercat Density functional energy decomposition into one- and two-atom contributions Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
doc icon TDX 28 juny 1999 Desenvolupament, implementaci贸 i aplicaci贸 de nova metodologia pel c脿lcul de la contribuci贸 vibracional a les propietats el猫ctriques: contribucions de relaxaci贸 nuclear i curvatura Luis Luis, Josep Maria
out url icon Recercat Desenvolupament, implementaci贸 i aplicaci贸 de nova metodologia pel c脿lcul de la contribuci贸 vibracional a les propietats el猫ctriques: contribucions de relaxaci贸 nuclear i curvatura Luis Luis, Josep Maria
doc icon DUGiDocs 2000 Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Beno卯t ; Kirtman, Bernard
out url icon Recercat Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Beno卯t ; Kirtman, Bernard
doc icon TDX 7 juliol 2006 Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity Matito i Gras, Eduard
out url icon Recercat Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity Matito i Gras, Eduard
doc icon TDX 21 octubre 2010 Dihydrogen bonds: a study Hugas Germ脿, David
out url icon Recercat Dihydrogen bonds: a study Hugas Germ脿, David
doc icon DUGiDocs 21 octubre 2004 Discurs de presentaci贸 del professor Joan Bertran Rusca, a c脿rrec del Dr. Miquel Duran Duran i Portas, Miquel
out url icon Recercat Discurs de presentaci贸 del professor Joan Bertran Rusca, a c脿rrec del Dr. Miquel Duran Duran i Portas, Miquel
out url icon Recercat Doctor honoris causa [2004] Tate, Robert Brian ; Bertran Rusca, Juan ; Gil Aluja, Jaime
doc icon DUGiDocs juliol 2008 Doctor honoris causa: Robert Brian Tate, Joan Bertran Rusca i Jaume Gil Aluja: Parlaments de la cerim貌nia d鈥檌nvestidura llegits el dia 21 d鈥檕ctubre de 2004 a l鈥橝ula Magna de la Universitat de Girona: Girona, octubre de 2004 Tate, Robert Brian ; Bertran Rusca, Juan ; Gil Aluja, Jaime
doc icon DUGiDocs juny 2007 Dreta i esquerra: les mol猫cules quirals Sol脿 i Puig, Miquel ; Duran i Portas, Miquel
doc icon DUGiDocs 2000 Effect of basis set superposition error on the electron density of molecular complexes Salvador Sedano, Pedro ; Fradera i Llin脿s, Xavier ; Duran i Portas, Miquel
out url icon Recercat Effect of basis set superposition error on the electron density of molecular complexes Salvador Sedano, Pedro ; Fradera i Llin脿s, Xavier ; Duran i Portas, Miquel
out url icon Recercat 15 febrer 2020 Effect of basis set superposition error on the electron density of molecular complexes Salvador Sedano, Pedro ; Fradera i Llin脿s, Xavier ; Duran i Portas, Miquel
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