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Volumn 25, Issue 15, 2004, Pages 1840-1848

The performance of nonhybrid density functionals for calculating the structures and spin States of Fe(II) and Fe(III) complexes

Author keywords

COSMO; Density functional theory; Spin state energies

Indexed keywords

COMPLEXATION; CRYSTAL STRUCTURE; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; SOLVENTS; THERMOOXIDATION;

EID: 8444237123     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20101     Document Type: Article
Times cited : (89)

References (68)
  • 17
  • 44
    • 0004313709 scopus 로고    scopus 로고
    • Chemical Computing Group: Montreal, Canada
    • Molecular Operating Environment, Chemical Computing Group: Montreal, Canada, 2002.
    • (2002) Molecular Operating Environment
  • 49
    • 0003754095 scopus 로고
    • Ziesche, P.; Eschrig, H., Eds.; Akademie Verlag: Berlin
    • Perdew, J. P. In Electronic Structure of Solids '91; Ziesche, P.; Eschrig, H., Eds.; Akademie Verlag: Berlin, 1991.
    • (1991) Electronic Structure of Solids '91
    • Perdew, J.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.