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Volumn 109, Issue 51, 2005, Pages 11771-11780

Electronic structure of the hydroxo and methoxo oxometalate anions MO 3(OH) - and MO 3(OCH 3) - (M = Cr, Mo, and W)

Author keywords

[No Author keywords available]

Indexed keywords

CCSD(T) LEVELS OF THEORY; HYDROXO AND METHOXO OXOMETALATE ANIONS; OXYGEN 2P-BASED ORBITALS; PHOTODETACHMENT PHOTOELECTRON SPECTROSCOPY;

EID: 30344472416     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054666x     Document Type: Article
Times cited : (18)

References (75)
  • 39
    • 0003974931 scopus 로고    scopus 로고
    • Grotendorst, J., Ed.; NIC Series 1; Julich Research Center: Julich, Germany
    • (b) Dolg, M. In Modern Methods and Algorithms of Quantum Chemistry; Grotendorst, J., Ed.; NIC Series 1; Julich Research Center: Julich, Germany, 2000.
    • (2000) Modern Methods and Algorithms of Quantum Chemistry
    • Dolg, M.1
  • 55
    • 0000142057 scopus 로고
    • The intensities of the PES bands can be calculated by using time-dependent perturbation theory and the DFT wave function. (Arduengo, A. J., III; Bock, H.; Chen, H.; Denk, M.; Dixon, D. A.; Green, J. C.; Herrmann, W. A.; Jones, N.; Wagner, M.; West, R. J. Am. Chem. Soc. 1994, 116, 6641). However, this approximation works best when the photon energy is much higher than the orbital energies, which is not the case here. This method was attempted, but provided poor agreement with experiment and did not aid with an interpretation of the experimental results.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 6641
    • Iii, A.A.J.1    Bock, H.2    Chen, H.3    Denk, M.4    Dixon, D.A.5    Green, J.C.6    Herrmann, W.A.7    Jones, N.8    Wagner, M.9    West, R.10
  • 73
    • 84858521544 scopus 로고    scopus 로고
    • http://webbook.nist.gov/chemistry/.
  • 75
    • 30344448076 scopus 로고    scopus 로고
    • See also Chem. Eng. News 2003, March 3, pp 48-49.
    • (2003) Chem. Eng. News , vol.MARCH 3 , pp. 48-49


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.