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out url icon Recercat The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel ; Mestres i LĂłpez, Jordi
out url icon Recercat 2020 February 15 The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel ; Mestres i LĂłpez, Jordi
doc icon DUGiDocs 2004 Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems Salvador Sedano, Pedro ; Mayer, István
doc icon DUGiDocs 2018 September The secrets of biocatalysis: adaptation of epoxide hydrolase enzyme from Bacillus megaterium for drug synthesis Torrent PalahĂ­, Judit
doc icon DUGiDocs 2006 Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
out url icon Recercat Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
doc icon DUGiDocs 1998 Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions Kirtman, Bernard ; Luis Luis, Josep Maria ; Bishop, David M.
out url icon Recercat Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions Kirtman, Bernard ; Luis Luis, Josep Maria ; Bishop, David M.
doc icon DUGiDocs 2008 Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing Kirtman, Bernard ; Luis Luis, Josep Maria
out url icon Recercat Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing Kirtman, Bernard ; Luis Luis, Josep Maria
doc icon DUGiDocs 2018 September Simulació de cel·les fotovoltaiques orgàniques Lorenzo Beza, Joel
doc icon DUGiDocs 2004 Speed of travelling fronts: Two-dimensional and ballistic dispersal probability distributions Méndez López, Vicenç ; Campos, Daniel ; Fort, Joaquim
out url icon Recercat Speed of travelling fronts: Two-dimensional and ballistic dispersal probability distributions Méndez López, Vicenç ; Campos, Daniel ; Fort, Joaquim
doc icon DUGiDocs 1997 A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís
out url icon Recercat A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís
doc icon DUGiDocs 1995 Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy Luis Luis, Josep Maria ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís
out url icon Recercat Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy Luis Luis, Josep Maria ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís
out url icon Recercat Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor Conjugate MartĂ­nez, Juan Pablo ; SolĂ  i Puig, Miquel ; Voityuk, Alexander A.
out url icon Recercat Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor Conjugate MartĂ­nez, Juan Pablo ; SolĂ  i Puig, Miquel ; Voityuk, Alexander A.
doc icon DUGiDocs 2016 June 5 Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor Conjugate MartĂ­nez LĂłpez, Juan Pablo ; SolĂ  i Puig, Miquel ; Voityuk, Alexander A.
out url icon Recercat 2018 June 1 Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor Conjugate
out url icon Recercat 2018 June 5 Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor Conjugate MartĂ­nez LĂłpez, Juan Pablo ; SolĂ  i Puig, Miquel ; Voityuk, Alexander A.
out url icon Recercat 2020 February 15 Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor Conjugate MartĂ­nez LĂłpez, Juan Pablo ; SolĂ  i Puig, Miquel ; Voityuk, Alexander A.
out url icon Recercat Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3 Luis Luis, Josep Maria ; Reis, Heribert C. ; Papadopoulos, Manthos G. ; Kirtman, Bernard
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