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Volumn 106, Issue 46, 2002, Pages 11150-11161

Photochemistry of CH2BrCl: An ab initio and dynamical study

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; GROUND STATE; HALOGEN COMPOUNDS; LIGHT ABSORPTION; METHANE; PHOTONS; SPECTRUM ANALYSIS;

EID: 0037153304     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026877x     Document Type: Article
Times cited : (29)

References (59)
  • 24
    • 0011976477 scopus 로고    scopus 로고
    • Zare, R.N. Science 1998, 279, 1879.
    • (1998) Science , vol.279 , pp. 1879
    • Zare, R.N.1
  • 38
    • 0003392605 scopus 로고    scopus 로고
    • University of Lund: Lund, Sweden
    • Andersson, K.; et al., MOLCAS 5.0; University of Lund: Lund, Sweden, 2000.
    • (2000) MOLCAS 5.0
    • Andersson, K.1
  • 55
    • 0011978686 scopus 로고    scopus 로고
    • note
    • For consistency, the dissociating energies were calculated using nine roots in the equilibrium geometry.
  • 56
    • 0011915107 scopus 로고    scopus 로고
    • note
    • The dissociation energy computed between C-Br = 10 Å and C-Br = 1.933 Å is 3.14 eV. This value is more reliable than the 3.22 eV because the active space at C-Br = 50 Å conforms different excitations than the ones present at equilibrium.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.