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156 items found

Showing titles from 125 to 150:

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FormatDateTitleAuthor
FormatDateTitleAuthor
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 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 Martínez, Juan Pablo ; Solà 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 Martínez, Juan Pablo ; Solà 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 Martínez López, Juan Pablo ; Solà 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 Martínez López, Juan Pablo ; Solà i Puig, Miquel ; Voityuk, Alexander A.
doc icon DUGiDocs 2009 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
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
doc icon DUGiDocs 2011 February 18 Triplet-triplet energy transfer in DNA: A process that occurs on the nanosecond timescale Curutchet, Carles ; Voityuk, Alexander A.
out url icon Recercat Triplet-triplet energy transfer in DNA: A process that occurs on the nanosecond timescale Curutchet, Carles ; Voityuk, Alexander A.
doc icon DUGiDocs 2012 A valence bond description of the prefulvene extended conical intersection seam of benzene Blancafort San José, Lluís ; Robb, Michael A.
out url icon Recercat A valence bond description of the prefulvene extended conical intersection seam of benzene Blancafort San José, Lluís ; Robb, Michael A.
doc icon DUGiDocs 2006 A variational approach for calculating Franck-Condon factors including mode-mode anharmonic coupling Luis Luis, Josep Maria ; Kirtman, Bernard ; Christiansen, Ove
out url icon Recercat A variational approach for calculating Franck-Condon factors including mode-mode anharmonic coupling Luis Luis, Josep Maria ; Kirtman, Bernard ; Christiansen, Ove
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