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Journal of Molecular Structure: THEOCHEM

Volumn 451, Issue 1-2, 1998, Pages 121-134

Analytical second derivatives in ab initio Hartree-Fock crystal orbital theory of polymers

a GRADUATE UNIVERSITY FOR ADVANCED STUDIES (Japan)

Author keywords

Ab initio Hartree Fock crystal orbital theory; All trans polyethylene; Analytical second derivative method; Harmonic vibrational frequencies

Indexed keywords

EID: 0001096435 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(98)00165-1 Document Type: Article

Times cited : (20)

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