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out url icon Recercat Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch Torrent Sucarrat, Miquel ; Anglada, Josep M. ; Luis Luis, Josep Maria
out url icon Recercat 1 juny 2018 Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch
out url icon Recercat 5 juny 2018 Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch Torrent Sucarrat, Miquel ; Anglada, Josep M. ; Luis Luis, Josep Maria
doc icon DUGiDocs 2012 Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch Torrent Sucarrat, Miquel ; Anglada, Josep M. ; Luis Luis, Josep Maria
out url icon Recercat Examining the formation of specific interactions between poly (3,4-ethylenedioxythiophene) and nucleotide bases Zanuy, David ; Teixeira-Dias, Bruno ; Valle, Luis J. del ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Alemán, Carlos
doc icon DUGiDocs 2013 Examining the formation of specific interactions between poly (3,4-ethylenedioxythiophene) and nucleotide bases Zanuy, David ; Teixeira-Dias, Bruno ; Valle, Luis J. del ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Alemán, Carlos
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.
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 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 1 juny 2018 Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase
out url icon Recercat 5 juny 2018 Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase Maria-Solano, Miguel A. ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia
doc icon DUGiDocs 18 abril 2017 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.
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 1 juny 2018 Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox
out url icon Recercat 5 juny 2018 Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox Fort, Joaquim
doc icon DUGiDocs 2007 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 Borràs, Marc ; Solà i Puig, Miquel ; Lauvergnat, David ; Reis, Heribert C. ; Luis Luis, Josep Maria ; Kirtman, Bernard
doc icon DUGiDocs 2013 A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions Garcia Borràs, Marc ; Solà i Puig, Miquel ; Lauvergnat, David ; Reis, Heribert ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon DUGiDocs 31 juliol 2025 Functional cavitands as artificial enzymes: bridging computational and synthetic strategies for supramolecular catalysis and beyond Lopez Coll, Ricard
out url icon DUGiDocs 28 juliol 2025 Generation of theoretical DHICA melanin models for the simulation of optical spectra Bosch i Coch, Daniel
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