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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 1999 Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
out url icon Recercat Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
doc icon DUGiDocs 2008 Bernoulli correction to viscous losses: Radial flow between two parallel discs Armengol Masferrer, Jordi ; CalbĂł Angrill, Josep ; Pujol i SagarĂł, Toni ; Roura Grabulosa, Pere
out url icon Recercat Bernoulli correction to viscous losses: Radial flow between two parallel discs Armengol Masferrer, Jordi ; CalbĂł Angrill, Josep ; Pujol i SagarĂł, Toni ; Roura Grabulosa, Pere
doc icon DUGiDocs 2005 Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; SolĂ  i Puig, Miquel ; Bishop, David M. ; Kirtman, Bernard
out url icon Recercat Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; SolĂ  i Puig, Miquel ; Bishop, David M. ; Kirtman, Bernard
out url icon Recercat Canopy-scale turbulence under oscillatory flow Pujol, Dolors ; Casamitjana, Xavier ; Serra Putellas, Teresa
doc icon DUGiDocs 2013 September 1 Canopy-scale turbulence under oscillatory flow Pujol Company, M. Dolors ; Casamitjana, Xavier ; Serra Putellas, Teresa
doc icon DUGiDocs 2005 Charge transfer in DNA: hole charge is confined to a single base pair due to solvation effects Voityuk, Alexander A.
out url icon Recercat Charge transfer in DNA: hole charge is confined to a single base pair due to solvation effects Voityuk, Alexander A.
media icon MDX 2005 Clase del 2011-09-21. Problemas y DinĂĄmica del sĂłlido rĂ­gido 01 PĂ©rez Losada, Joaquim
media icon DUGiMedia 2011 September 21 Clase del 2011-09-21. Problemas y DinĂĄmica del sĂłlido rĂ­gido 01 PĂ©rez Losada, Joaquim
media icon MDX 2005 Clase del 2011-09-21. Problemas y DinĂĄmica del sĂłlido rĂ­gido 02 PĂ©rez Losada, Joaquim
media icon DUGiMedia 2011 September 21 Clase del 2011-09-21. Problemas y DinĂĄmica del sĂłlido rĂ­gido 02 PĂ©rez Losada, Joaquim
out url icon DUGiDocs 2023 July 7 Computational exploration and design of HHDH variants with novel synthetically useful functionalities Estévez-Gay, Miquel
out url icon DUGiDocs 2022 September 26 A computational micromechanics investigation of longitudinal strength in unidirectional fibre reinforced composites Barzegar, Mostafa
out url icon DUGiDocs 2023 June 2 Computational strategies for understanding the molecular basis of biochemical and biocatalytic processes CalvĂł-Tusell, Carla
doc icon DUGiDocs 2021 February 12 Computational studies of the conformational landscape of allosteric and enantioselective enzymes María Solano, Miguel Ángel
out url icon Recercat Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials Reis, Heribert C. ; Luis Luis, Josep Maria ; Garcia BorrĂ s, Marc ; Kirtman, Bernard
doc icon DUGiDocs 2014 January 14 Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials Reis, Heribert ; Luis Luis, Josep Maria ; Garcia BorrĂ s, Marc ; Kirtman, Bernard
doc icon DUGiDocs 2008 Conformations of poly{G}-poly{C} π stacks with high hole mobility Voityuk, Alexander A.
out url icon Recercat Conformations of poly{G}-poly{C} π stacks with high hole mobility Voityuk, Alexander A.
out url icon Recercat A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene Li, Quansong ; Blancafort San José, Lluís
doc icon DUGiDocs 2013 A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene Li, Quansong ; Blancafort San José, Lluís
out url icon Recercat Conical intersection optimization using composed steps inside the ONIOM(QM:MM) scheme: CASSCF:UFF implementation with microiterations Ruiz-Barragån, Sergi ; Morokuma, Keiji ; Blancafort San José, Lluís
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