Charge transfer

Llistar Títols per Matèria "Charge transfer"

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out url icon Recercat Acidic C-H bond as a proton donor in excited state intramolecular proton transfer reactions Stasyuk, Anton J. ; Cyrański, Michał K. ; Gryko, Daniel T. ; Solà i Puig, Miquel
doc icon DUGiDocs 10 març 2015 Acidic C-H bond as a proton donor in excited state intramolecular proton transfer reactions Stasyuk, Anton J. ; Cyrański, Michał K. ; Gryko, Daniel T. ; Solà i Puig, Miquel
out url icon Recercat Buckycatcher. A New Opportunity for Charge-Transfer Mediation? Voityuk, Alexander A. ; Duran i Portas, Miquel
doc icon DUGiDocs 2008 Buckycatcher. A New Opportunity for Charge-Transfer Mediation? Voityuk, Alexander A. ; Duran i Portas, Miquel
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.
doc icon DUGiDocs 22 juny 2012 Computational modeling of charge transfer in nucleobase-aromatic amino acid complexes Butchosa Robles, Cristina
out url icon Recercat Computational modeling of charge transfer in nucleobase-aromatic amino acid complexes Butchosa Robles, Cristina
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 Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations Blancafort San José, Lluís ; Voityuk ​, Alexander A.
out url icon Recercat 1 juny 2018 Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations
out url icon Recercat 5 juny 2018 Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations Blancafort San José, Lluís ; Voityuk, Alexander A.
out url icon Recercat 15 febrer 2020 Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations Blancafort San José, Lluís ; Voityuk, Alexander A.
doc icon DUGiDocs 2017 Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations Blancafort San José, Lluís ; Voityuk, Alexander A.
doc icon DUGiDocs 2008 Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study Voityuk, Alexander A.
out url icon Recercat Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study Voityuk, Alexander A.
doc icon DUGiDocs 2005 Estimates of electronic coupling for excess electron transfer in DNA Voityuk, Alexander A.
out url icon Recercat Estimates of electronic coupling for excess electron transfer in DNA Voityuk, Alexander A.
doc icon DUGiDocs 2006 Estimation of electronic coupling in π -stacked donor-bridge-acceptor systems: correction of the two-state model Voityuk, Alexander A.
out url icon Recercat Estimation of electronic coupling in π -stacked donor-bridge-acceptor systems: correction of the two-state model 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.
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 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.
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