Quantum chemical construction of a reduced reaction Hamiltonian and T1-relaxation and pure T2-dephasing rates for the proton transfer in 3-chlorotropolone

European Physical Journal D

Volumn 19, Issue 3, 2002, Pages 293-305

  Xu, R ^a,b   Yan, Y J ^a,b   Kuhn O ^c  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^c FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; PROTON TRANSFER; QUANTUM CHEMISTRY; REACTION RATES;

CONDENSED PHASE; CONDENSED PHASIS; DEPHASING RATES; HARMONIC OSCILLATORS; INTRAMOLECULAR PROTON-TRANSFER; MULTIDIMENSIONAL PROBLEMS; PHASE THEORY; QUANTUM CHEMICAL; SPECIFIC PROBLEMS; TROPOLONE;

HAMILTONIANS;

EID: 0036627966     PISSN: 14346060     EISSN: None     Source Type: Journal    
DOI: 10.1140/epjd/e20020082     Document Type: Article

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