Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex

Journal of Physical Chemistry B

Volumn 119, Issue 6, 2015, Pages 2758-2768

  Goyal, Puja ^a   Schwerdtfeger, Christine A ^a   Soudackov, Alexander V ^a   Hammes Schiffer, Sharon ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; DYNAMICS; FREE ENERGY; GROUND STATE; HYDROGEN BONDS; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULES; PHENOLS; POTENTIAL ENERGY; PROTON TRANSFER; QUANTUM CHEMISTRY; QUANTUM THEORY;

COMPLETE ACTIVE SPACE; ELECTRON-PROTON TRANSFERS; EXCITED ELECTRONIC STATE; INTRAMOLECULAR CHARGE TRANSFERS; MOLECULAR MECHANICALS; NON-ADIABATIC DYNAMICS; PROTON COUPLED ELECTRON TRANSFERS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL;

EXCITED STATES;

AMINE; PHENOL DERIVATIVE; PROTON; SOLVENT;

CHEMISTRY; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; PHOTOCHEMISTRY; QUANTUM THEORY; THERMODYNAMICS;

AMINES; ELECTRON TRANSPORT; MOLECULAR DYNAMICS SIMULATION; PHENOLS; PHOTOCHEMICAL PROCESSES; PROTONS; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS;

EID: 84922901672     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5126969     Document Type: Article

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