Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study

Journal of Chemical Physics

Volumn 140, Issue 9, 2014, Pages

  Blancafort, Lluís ^a   Voityuk, Alexander A ^a,b  

^a UNIVERSITY OF GIRONA   (Spain)

^b INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; CHARGE TRANSFER; COUPLINGS; DNA; ELECTRON TRANSITIONS; ENERGY TRANSFER; EXCITATION ENERGY; EXCITONS; HAMILTONIANS; PHOTOPHYSICS;

CHARGE TRANSFER STATE; CHARGE-TRANSFER EXCITED STATE; EFFECTIVE HAMILTONIAN; ELECTRONIC COUPLING; EXCITON DELOCALIZATION; THREE-STATE MODELS; TRANSFER DESCRIPTORS; TRANSITION DENSITY;

EXCITED STATES;

DNA;

ARTICLE; CHEMISTRY; CONFORMATION; ELECTRON; ENERGY TRANSFER; QUANTUM THEORY;

DNA; ELECTRONS; ENERGY TRANSFER; NUCLEIC ACID CONFORMATION; QUANTUM THEORY;

EID: 84896771906     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4867118     Document Type: Article

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