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Journal of Molecular Structure: THEOCHEM

Volumn 586, Issue 1-3, 2002, Pages 29-34

Coupled cluster calculations of equilibrium geometries, harmonic vibrational frequencies and the barrier height of ethane

(3) Roberto Neto, Orlando a Chakravorty, Subhas b Machado, Francisco B C c

a INSTITUTO DE ESTUDOS AVANÇADOS (Brazil)

b MERCK RESEARCH LABORATORIES (United States)

c INSTITUTO TECNOLÓGICO DE AERONÁUTICA (Brazil)

Author keywords

Coupled cluster; Ethane; Geometries; Vibrational frequencies

Indexed keywords

ETHANE;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; GEOMETRY; SPECTROSCOPY; VIBRATION;

EID: 0037150960 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00058-1 Document Type: Article

Times cited : (8)

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