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Journal of Molecular Structure: THEOCHEM

Volumn 528, Issue 1-3, 2000, Pages 19-28

Effective core potential ab initio calculations on main group heptoxides and large silicate systems

(2) Ribeiro Claro, P J A a Amado, A M a

a UNIVERSITY OF COIMBRA (Portugal)

Author keywords

B3LYP method; Effective core potentials; Heptoxides; Molecular structures; Silicate; Zeolites

Indexed keywords

HEPTOXIDE; OXIDE; SILICATE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; MOLECULAR DYNAMICS;

EID: 0034714070 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(99)00400-5 Document Type: Article

Times cited : (16)

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