|
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.
|
|
|
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.
|
|
11 desembre 2008 |
Clausura del cicle de jornades |
Pedrerol, Marta
; Bou Vilanova, Albert
; Duran i Portas, Miquel
|
|
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
|
|
|
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
|
|
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
|
|
novembre 2007 |
Comunicaci贸 cient铆fica, versi贸 2.0 |
Duran i Portas, Miquel
|
|
2005 |
Density functional energy decomposition into one- and two-atom contributions |
Vyboishchikov, Sergei F.
; Salvador Sedano, Pedro
; Duran i Portas, Miquel
|
|
|
Density functional energy decomposition into one- and two-atom contributions |
Vyboishchikov, Sergei F.
; Salvador Sedano, Pedro
; Duran i Portas, Miquel
|
|
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
|
|
|
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
|
|
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
|
|
|
Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Champagne, Beno卯t
; Kirtman, Bernard
|
|
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
|
|
|
Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity |
Matito i Gras, Eduard
|
|
21 octubre 2010 |
Dihydrogen bonds: a study |
Hugas Germ脿, David
|
|
|
Dihydrogen bonds: a study |
Hugas Germ脿, David
|
|
21 octubre 2004 |
Discurs de presentaci贸 del professor Joan Bertran Rusca, a c脿rrec del Dr. Miquel Duran |
Duran i Portas, Miquel
|
|
|
Discurs de presentaci贸 del professor Joan Bertran Rusca, a c脿rrec del Dr. Miquel Duran |
Duran i Portas, Miquel
|
|
|
Doctor honoris causa [2004] |
Tate, Robert Brian
; Bertran Rusca, Juan
; Gil Aluja, Jaime
|
|
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
|
|
juny 2007 |
Dreta i esquerra: les mol猫cules quirals |
Sol脿 i Puig, Miquel
; Duran i Portas, Miquel
|
|
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
|
|
|
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
|
|
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
|