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Volumn 13, Issue 18, 2011, Pages 8075-8093

Nσ* and πσ* excited states in aryl halide photochemistry: A comprehensive study of the UV photodissociation dynamics of iodobenzene

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[No Author keywords available]

Indexed keywords


EID: 79955401686     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c0cp02390f     Document Type: Article
Times cited : (49)

References (85)
  • 69
    • 1842636265 scopus 로고    scopus 로고
    • The LIIC co-ordinate could have been constructed from optimized structures for the ground and excited states (Table 2) derived at the same level of theory, but we have here chosen to use the ground state MP2 and excited state CASSCF structures. The main difference between CASSCF and MP2 ground state structures is the C-I bond length. Since the latter is explicitly mapped in Fig. 11, the precise way in which the LIIC coordinate is derived should not be of great importance
    • Y.-J. Liu P. Persson S. Lunnell J. Phys. Chem. A 2004 108 2339
    • (2004) J. Phys. Chem. A , vol.108 , pp. 2339
    • Liu, Y.-J.1    Persson, P.2    Lunnell, S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.