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Journal of Chemical Physics

Volumn 117, Issue 5, 2002, Pages 1967-1974

An accurate semiclassical method to predict ground-state tunneling splittings

(4) Tautermann, Christofer S a Voegele, Andreas F a Loerting, Thomas a Liedl, Klaus R a

a UNIVERSITY OF INNSBRUCK (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; CALCULATIONS; ELECTRON TUNNELING; GLOBAL OPTIMIZATION; HYDROFLUORIC ACID; INTEGRATION; NUMERICAL METHODS; POLYNOMIALS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL THEORY; GROUND STATE TUNNELING SPLITTING; POTENTIAL ENERGY SURFACES; QUANTUM CHEMICAL METHODS; TROPOLONE;

GROUND STATE;

EID: 0036679099 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1488925 Document Type: Article

Times cited : (53)

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