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Volumn , Issue 26, 2008, Pages 3438-3446

Electronic structure of the glyoxalbis(2-hydroxyanil) (gha) ligand in [CoIII(gha)(PPh3)2]+: Radical vs. non-radical states

Author keywords

[No Author keywords available]

Indexed keywords

CHELATION; COBALT ALLOYS; COBALT COMPOUNDS; COMPLEXATION; ELECTRONIC STRUCTURE; SYNTHESIS (CHEMICAL);

EID: 45749145121     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/b802063a     Document Type: Article
Times cited : (11)

References (97)
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    • Bruker-AXS, Madison, WI
    • SAINT+, Version 6.02, Bruker-AXS, Madison, WI, 1999
    • (1999) SAINT+, Version 6.02
  • 77
    • 7944235964 scopus 로고    scopus 로고
    • Vrije Universiteit, Amsterdam, Netherlands
    • ADF2006.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, Netherlands, http://www.scm.com
    • ADF2006.01, SCM, Theoretical Chemistry
  • 96
    • 0029467008 scopus 로고
    • Strictly speaking, the KS determinant is not a real wave function but describes a hypothetical reference state. The existence of a symmetry-broken singlet UKS determinant that is lower in energy than the corresponding RKS solution can nevertheless be used as a qualitative indicator of diradical character. However, the wave function can have an internal instability even if all eigenvalues in the KS SCF stability analysis are found to be positive
    • L. Noodleman C. Y. Peng D. A. Case J. M. Mouesca Coord. Chem. Rev. 1995 144 199
    • (1995) Coord. Chem. Rev. , vol.144 , pp. 199
    • Noodleman, L.1    Peng, C.Y.2    Case, D.A.3    Mouesca, J.M.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.