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Volumn , Issue 28, 2006, Pages 3466-3477

Structural consequences of the one-electron reduction of d4 [Mo(CO)2(η-PhC≡CPh)Tp′]+ and the electronic structure of the d5 radicals [M(CO)L(η-MeC≡CMe) Tp′] {L = CO and P(OCH2)3CEt}

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; ELECTRONIC STRUCTURE; INFRARED SPECTROSCOPY; PARAMAGNETIC RESONANCE; REDOX REACTIONS;

EID: 33745785215     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/b514951g     Document Type: Article
Times cited : (13)

References (31)
  • 15
    • 33745765319 scopus 로고    scopus 로고
    • Ph.D. Thesis, University of Bristol
    • D. J. Harding, Ph.D. Thesis, University of Bristol, 2000
    • (2000)
    • Harding, D.J.1
  • 23
    • 0347095360 scopus 로고    scopus 로고
    • LLC, Portland, Oregon, The LACV3P basis set is a triple-zeta contraction of the LACVP basis set that is peculiar to the Jaguar programme. LACVP uses an effective core potential to describe all but the valence nd, (n + 1)s and (n + 1)p and outer core ns and np electrons.
    • Jaguar 5.0, Schrodinger, LLC, Portland, Oregon, 2002
    • (2002) Jaguar 5.0, Schrodinger
  • 27
    • 33645058248 scopus 로고    scopus 로고
    • DFT calculations of EPR hyperfine coupling constants, in
    • M. Kaupp, M. Bühl and V. G. Malkin, Wiley-VCH, Weinheim
    • M. K. Munzarová, DFT calculations of EPR hyperfine coupling constants, in Calculation of NMR and EPR parameters, ed., M. Kaupp, M. Bühl, and, V. G. Malkin, Wiley-VCH, Weinheim, 2004, ch. 29
    • (2004) Calculation of NMR and EPR Parameters, Ed.
    • Munzarová, M.K.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.