Charge-transfer excited states and proton transfer in model guanine-cytosine DNA duplexes in water

Journal of Physical Chemistry Letters

Volumn 4, Issue 15, 2013, Pages 2540-2545

  Ko, Chaehyuk ^a   Hammes Schiffer, Sharon ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

photochemistry; photoinduced DNA; proton coupled electron transfer; QM MM; TDDFT

Indexed keywords

CHARGE-TRANSFER EXCITED STATE; DEUTERIUM ISOTOPE EFFECT; PHOTO-INDUCED; PROTON-COUPLED ELECTRON TRANSFER; QM/MM; QUANTUM MECHANICAL/MOLECULAR MECHANICAL CALCULATIONS; TDDFT; VERTICAL EXCITATION ENERGY;

CARRIER MOBILITY; DEUTERIUM; DNA; EXCITED STATES; MOLECULAR MODELING; PHOTOCHEMICAL REACTIONS; POSITIVE IONS; PROTON TRANSFER; RADIATION DAMAGE; RELAXATION PROCESSES; SPECTROSCOPIC ANALYSIS;

DNA SEQUENCES;

EID: 84881271035     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz401144c     Document Type: Article

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