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doc icon DUGiDocs 2014 Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study Blancafort San José, Lluís ; Voityuk, Alexander A.
out url icon Recercat Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study Blancafort San José, Lluís ; Voityuk, Alexander A.
out url icon Recercat Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study Blancafort San José, Lluís ; Voityuk, Alexander A.
out url icon Recercat Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase Maria-Solano, Miguel A. ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia
out url icon Recercat Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase Maria-Solano, Miguel A. ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia
out url icon Recercat 2018 June 1 Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase
out url icon Recercat 2018 June 5 Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase Maria-Solano, Miguel A. ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia
doc icon DUGiDocs 2017 April 18 Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase Maria Solano, Miguel A. ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia
out url icon Recercat Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study Martínez, Juan Pablo ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Voityuk, Alexander A.
doc icon DUGiDocs 2015 Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study Martínez López, Juan Pablo ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Voityuk, Alexander A.
doc icon DUGiDocs 2007 Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox Fort, Joaquim
out url icon Recercat Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox Fort, Joaquim
out url icon Recercat Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox Fort, Joaquim
out url icon Recercat 2018 June 1 Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox
out url icon Recercat 2018 June 5 Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox Fort, Joaquim
out url icon Recercat A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions Garcia BorrĂ s, Marc ; SolĂ  i Puig, Miquel ; Lauvergnat, David ; Reis, Heribert C. ; Luis Luis, Josep Maria ; Kirtman, Bernard
doc icon DUGiDocs A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions Garcia BorrĂ s, Marc ; SolĂ  i Puig, Miquel ; Lauvergnat, David ; Reis, Heribert ; Luis Luis, Josep Maria ; Kirtman, Bernard
doc icon DUGiDocs 2006 Linear response functions for a vibrational configuration interaction state Christiansen, Ove ; Kongsted, Jacob ; Paterson, Martin J. ; Luis Luis, Josep Maria
out url icon Recercat Linear response functions for a vibrational configuration interaction state Christiansen, Ove ; Kongsted, Jacob ; Paterson, Martin J. ; Luis Luis, Josep Maria
doc icon DUGiDocs 2011 July 1 Mechanism of action of cyclic antimicrobial peptides DĂ­az i Cirac, Anna
out url icon Recercat Mechanism of action of cyclic antimicrobial peptides DĂ­az i Cirac, Anna
doc icon DUGiDocs 2015 Molecular dynamics explorations of active site structure in designed and evolved enzymes Osuna Oliveras, Sílvia ; Jiménez-Osés, Gonzalo ; Noey, Elizabeth L. ; Houk, Kendall N.
out url icon Recercat Molecular dynamics explorations of active site structure in designed and evolved enzymes Osuna Oliveras, Sílvia ; Jiménez-Osés, Gonzalo ; Noey, Elizabeth L. ; Houk, Kendall N.
doc icon DUGiDocs 2016 September Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor Estévez Gay, Miquel
out url icon Recercat Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor Estévez Gay, Miquel
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