SCOPUS 정보 검색 플랫폼

RSC Advances

Volumn 3, Issue 37, 2013, Pages 16747-16755

Sparkle/RM1 parameters for the semiempirical quantum chemical calculation of lanthanide complexes

(5) Filho, Manoel A M a Dutra, José Diogo L a Rocha, Gerd B b Freire, Ricardo O a Simas, Alfredo M c

a FEDERAL UNIVERSITY OF SERGIPE (Brazil)

b FEDERAL UNIVERSITY OF PARAÍBA (Brazil)

c FEDERAL UNIVERSITY OF PERNAMBUCO (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLOGRAPHIC STRUCTURE; GEOMETRY OPTIMIZATION; LANTHANIDE COMPLEX; METAL ORGANIC FRAMEWORK; QUANTUM CHEMICAL CALCULATIONS; SEMI-EMPIRICAL; SPARKLE MODEL; TRAINING SETS;

ATOMS; C (PROGRAMMING LANGUAGE); CHLORINE COMPOUNDS; CRYSTALLINE MATERIALS; METAL IONS; MOLECULAR ORBITALS;

PROMETHIUM;

EID: 84883394146 PISSN: None EISSN: 20462069 Source Type: Journal
DOI: 10.1039/c3ra41406j Document Type: Article

Times cited : (67)

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