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Journal of Molecular Structure: THEOCHEM

Volumn 469, Issue 1-3, 1999, Pages 191-200

Ab initio calculations on some transition metal heptoxides by using effective core potentials

(2) Amado, Ana M a Ribeiro Claro, Paulo J A a

Author keywords

Ab initio Calculations; B3LYP method; Correlation energy; Effective Core Potentials; Heptoxide; Molecular structures; Transition metal; Vibrational frequencies

Indexed keywords

MANGANESE OXIDE; METAL OXIDE; RHENIUM COMPLEX; TECHNETIUM DERIVATIVE;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CONTROLLED STUDY; GAS; GEOMETRY; VIBRATION;

EID: 0033199099 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(98)00598-3 Document Type: Article

Times cited : (16)

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