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Volumn 109, Issue 21, 2005, Pages 4736-4743

Theoretical study of the mechanism of NO 2 production from NO + CIO

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); NITROGEN DIOXIDE; OZONE LOSS; WAVE FUNCTIONS;

EID: 20744450621     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050695w     Document Type: Article
Times cited : (7)

References (55)
  • 31
    • 0003392735 scopus 로고
    • NSRDS-NBS 35; National Bureau of Standards: Washington, DC, 2
    • Moore, C. E. Atomic Energy Levels; NSRDS-NBS 35; National Bureau of Standards: Washington, DC, 1971; Vols. II and II.
    • (1971) Atomic Energy Levels , vol.2
    • Moore, C.E.1
  • 34
    • 20744436508 scopus 로고    scopus 로고
    • note
    • The standard G3B3 method includes spin-orbit corrections for atoms but not for diatomic molecules. We have included spin-orbit effects for NO and CIO in the G3B3 energies.
  • 35
    • 0000196761 scopus 로고
    • The complete active space self-consistent field method and its applications in electronic structure calculations
    • Lawley, K. P., Ed.; John Wiley & Sons: Chichester, U.K.
    • Roos, B. O. The complete active space self-consistent field method and its applications in electronic structure calculations. In Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry-II; Lawley, K. P., Ed.; John Wiley & Sons: Chichester, U.K., 1987.
    • (1987) Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry-II
    • Roos, B.O.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.