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Volumn 126, Issue 4, 2004, Pages 1277-1284

Photoinduced Intramolecular Charge Transfer in 4-(Dimethyl)aminobenzonitrile - A Theoretical Perspective

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COSTS; ELECTROMAGNETIC WAVE EMISSION; ELECTRON ENERGY LEVELS; FLUORESCENCE; PHOTOCHEMICAL REACTIONS; SPECTROSCOPIC ANALYSIS;

EID: 0942298036     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja037806u     Document Type: Review
Times cited : (244)

References (103)
  • 14
    • 0038171507 scopus 로고    scopus 로고
    • (a) Bautista, J. A.; Connors, R. E.; Raju, B. B.; Hiller, R. G.; Sharples, F. P.; Gosztola, D.; Wasielewski, M. R.; Frank, H. A. J. Phys. Chem. B 1999, 103, 8751. See also: Zigmantas, D.; Hiller. R. G.; Yartsev, A.; Sundström, V.; Polívka, T. J. Phys. Chem. B 2003, 107, 5339.
    • (2003) J. Phys. Chem. B , vol.107 , pp. 5339
    • Zigmantas, D.1    Hiller, R.G.2    Yartsev, A.3    Sundström, V.4    Polívka, T.5
  • 53
    • 0942295562 scopus 로고    scopus 로고
    • Dissertation; Universität Düsseldorf
    • Sudholt, W. Dissertation; Universität Düsseldorf, 2001.
    • (2001)
    • Sudholt, W.1
  • 63
    • 0000189651 scopus 로고
    • Becke, A. D. J. Chem. Phys. 1993, 98, 5648. In contrast to the Gaussian and Q-Chem implementations, we use the full (beyond RPA) parametrization of the uniform gas correlation energy by Vosko, Wilk, and Nusair (VWN).
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 66
    • 0942306202 scopus 로고    scopus 로고
    • note
    • Considerably smaller displacements are necessary for a reliable prediction of soft modes, especially for the LE state.
  • 72
    • 0942295560 scopus 로고    scopus 로고
    • note
    • 37 is mainly due to the use of unrelaxed instead of relaxed densities, which casts some doubt on the validity of this approximation (see also ref 33).
  • 79
    • 0942273747 scopus 로고    scopus 로고
    • note
    • We note that the spin restricted Hartree-Fock ground state is triplet unstable at the twisted geometry, indicating strong static corelation effects in this partial bond breaking situation.
  • 86
    • 0942284582 scopus 로고    scopus 로고
    • note
    • 29,30
  • 102
    • 24444465793 scopus 로고    scopus 로고
    • Dissertation; Universität Karlsruhe
    • (b) Köhn, A. Dissertation; Universität Karlsruhe, 2003.
    • (2003)
    • Köhn, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.