|
2008 May |
Aromaticitat molecular: una recerca d’èxit amb gust d’UdG |
Universitat de Girona. Servei de Publicacions
|
|
2005 |
Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer |
Torrent Sucarrat, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; SolĂ i Puig, Miquel
|
|
|
Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer |
Torrent Sucarrat, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; SolĂ i Puig, Miquel
|
|
|
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules |
Torrent Sucarrat, Miquel
; SolĂ i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
2020 February 15 |
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules |
Torrent Sucarrat, Miquel
; SolĂ i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
2004 March 25 |
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules |
Torrent Sucarrat, Miquel
; SolĂ i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
1996 |
A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods |
SolĂ i Puig, Miquel
; Mestres i LĂłpez, Jordi
; CarbĂł-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 |
SolĂ i Puig, Miquel
; Mestres i LĂłpez, Jordi
; CarbĂł-Dorca, Ramon
; Duran i Portas, Miquel
|
|
2020 February 15 |
A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods |
SolĂ i Puig, Miquel
; Mestres i LĂłpez, Jordi
; CarbĂł-Dorca, Ramon
; Duran i Portas, Miquel
|
|
1993 |
A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration |
MartĂ, Josep
; Bishop, David M.
|
|
|
A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration |
MartĂ, Josep
; Bishop, David M.
|
|
2000 |
Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Champagne, Benoît
; Kirtman, Bernard
|
|
|
Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Champagne, Benoît
; Kirtman, Bernard
|
|
2006 July 7 |
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
|
|
2007 June |
Dreta i esquerra: les molècules quirals |
SolĂ i Puig, Miquel
; Duran i Portas, Miquel
|
|
2022 November 25 |
Estudio del impacto de UGT2B17 y PD-1 en el trasplante alogénico de progenitores hematopoyéticos a partir de donante emparentado HLA idéntico |
Santos Carvajal, Nazly
|
|
1996 |
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? |
Simon i Rabasseda, SĂlvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
|
|
|
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? |
Simon i Rabasseda, SĂlvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
|
|
2002 |
Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties |
Torrent Sucarrat, Miquel
; SolĂ i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
|
Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties |
Torrent Sucarrat, Miquel
; SolĂ i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
1998 July 24 |
Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants |
Simon i Rabasseda, SĂlvia
|
|
|
Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants |
Simon i Rabasseda, SĂlvia
|
|
2008 |
Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem |
Asturiol Bofill, David
; Duran i Portas, Miquel
; Salvador Sedano, Pedro
|
|
|
Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem |
Asturiol Bofill, David
; Duran i Portas, Miquel
; Salvador Sedano, Pedro
|