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Volumn 25, Issue 15, 2004, Pages 1873-1881

Calculation of the vibration frequencies of α-quartz: The effect of hamiltonian and basis set

Author keywords

quartz; B3LYP; Basis set; Hartree Fock; LDA; PBE; Vibration frequencies

Indexed keywords

APPROXIMATION THEORY; FUNCTIONS; HAMILTONIANS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NATURAL FREQUENCIES; QUANTUM THEORY; SET THEORY;

EID: 8344242162     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20120     Document Type: Article
Times cited : (481)

References (33)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.