Theoretical study of proton tunneling in the excited state of tropolone

Journal of Chemical Physics

Volumn 130, Issue 16, 2009, Pages

  Wójcik, Marek J ^a   Boda, Łukasz ^a   Boczar, Marek ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO; COUPLED VIBRATIONS; DOUBLE-WELL POTENTIALS; EXPERIMENTAL DATUM; HIGH FREQUENCIES; LOW FREQUENCIES; MONOTONIC DECREASE; OUT-OF-PLANE MODES; PROTON DYNAMICS; PROTON TUNNELING; SYMMETRIC MODES; THEORETICAL STUDIES; TROPOLONE; TUNNELING ENERGIES; TUNNELING SPLITTINGS; TWO-DIMENSIONAL MODELS; VIBRATIONAL FREQUENCIES; VIBRATIONALLY EXCITED STATE;

EXCITED STATES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROTONS; QUANTUM CHEMISTRY; TUNNELING (EXCAVATION); TWO DIMENSIONAL;

FREQUENCY ESTIMATION;

EID: 65149084986     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3115721     Document Type: Article

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