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Volumn 31, Issue 1, 2010, Pages 75-83

Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study

Author keywords

Basis set convergence; Coordination number; Copper(I) coplexes; DFT calculations; Thiolato ligands

Indexed keywords

COPPER; COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

EID: 84962381506     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21277     Document Type: Article
Times cited : (19)

References (84)
  • 71
    • 0000766887 scopus 로고    scopus 로고
    • Grotendorst, J., Ed; John von Neumann Institute for Computing: Jülich
    • Dolg, M. In Modern Methods and Algorithms of Quantum Chemistry; Grotendorst, J., Ed; John von Neumann Institute for Computing: Jülich, 2000, Vol.1, p 479.
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , vol.1 , pp. 479
    • Dolg, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.