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Volumn , Issue 30, 2009, Pages 6021-6036

Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(ii) complexes

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; AB INITIO STUDY; ELECTRON STATE; EXCITED-STATE PROPERTIES; EXPERIMENTAL VALUES; EXPLICIT TREATMENTS; MAGNETIC CIRCULAR DICHROISM SPECTRA; MAGNETIC CIRCULAR DICHROISMS; MODEL COMPLEXES; MULTI REFERENCE; RELIABLE ELECTRONICS; SPIN ORBITS; SPIN-SPIN; ZERO-FIELD SPLITTINGS;

EID: 68149087699     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/b902743b     Document Type: Article
Times cited : (60)

References (111)
  • 28
    • 68149173687 scopus 로고    scopus 로고
    • University of Konstanz
    • F. Neese, Ph.D. thesis, University of Konstanz, 1996
    • (1996)
    • Neese, F.1
  • 97
    • 68149107832 scopus 로고    scopus 로고
    • Universität Karlsruhe, Karlsruhe
    • F. Weigend, M. Haeser, H. Patzelt and R. Ahlrichs, Universität Karlsruhe, Karlsruhe, 2006 ftp.chemie-karlsruhe.de/pub/basen
    • (2006)
    • Weigend, F.1    Haeser, M.2    Patzelt, H.3    Ahlrichs, R.4
  • 101
    • 34047136122 scopus 로고    scopus 로고
    • Universität Bonn, February Structure taken from Cambridge structural database code: BEYZOU Structure taken from Cambridge structural database code: BIHGEE Structure taken from Cambridge structural database code: BIHGII
    • F. Neese, ORCA, An Ab Initio Density Functional and Semiempirical Program Package, 2007, version 2.6.73, Universität Bonn, February 2008
    • (2007) ORCA, An Ab Initio Density Functional and Semiempirical Program Package
    • Neese, F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.