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Journal of Molecular Structure: THEOCHEM

Volumn 492, Issue 1-3, 1999, Pages 175-186

Performance of the hybrid density functionals in the determination of the geometric structure, vibrational frequency and singlet-triplet energy separation of CH2, CHF, CF2, CCl2 and CBr2

(2) Das, D a Whittenburg, S L a

a UNIVERSITY OF NEW ORLEANS (United States)

Author keywords

Halocarbenes; Hybrid density functionals; Methylene; Singlet triplet energy separation

Indexed keywords

BROMINE DERIVATIVE; CARBENE; CHLORINE DERIVATIVE; FLUORINE DERIVATIVE;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DIPOLE; ENERGY; GEOMETRY; VIBRATION;

EID: 0033615937 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(99)00169-4 Document Type: Article

Times cited : (35)

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