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Volumn 122, Issue 30, 2000, Pages 7418-7419

A 'hot' perspective on symmetry breaking and vibronic coupling in cis-1,3,5-hexatriene [17]

Author keywords

[No Author keywords available]

Indexed keywords

POLYENE;

EID: 0034596346     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja000864k     Document Type: Letter
Times cited : (12)

References (25)
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    • Birge, R. R. Annu. Rev. Phys. Chem. 1990, 41, 683; Birge, R. R.; Gillespie, N. B.; Izaguirre, E. W.; Kusnetzow, A.; Lawrence, A. F.; Singh, D.; Song, Q. W.; Schmidt. E.; Stuart, J. A.; Seetharaman, S.; Wise, K. J. J. Phys. Chem. B 1999, 103, 10746.
    • (1990) Annu. Rev. Phys. Chem. , vol.41 , pp. 683
    • Birge, R.R.1
  • 6
    • 36849101762 scopus 로고
    • Hudson, B. S.; Kohler, B. E. Chem. Phys. Lett. 1972, 14, 299; Hudson, B. S.; Kohler, B. E. J. Chem. Phys. 1973, 59, 4984.
    • (1973) J. Chem. Phys. , vol.59 , pp. 4984
    • Hudson, B.S.1    Kohler, B.E.2
  • 10
    • 0000112608 scopus 로고
    • Buma, W. J.; Zerbelto, F. J. Chem. Phys. 1995, 103, 10492; Buma, W. J.; Zerbetto, F. J. Am. Chem. Soc. 1996, 118, 9178.
    • (1995) J. Chem. Phys. , vol.103 , pp. 10492
    • Buma, W.J.1    Zerbelto, F.2
  • 11
    • 0029802349 scopus 로고    scopus 로고
    • Buma, W. J.; Zerbelto, F. J. Chem. Phys. 1995, 103, 10492; Buma, W. J.; Zerbetto, F. J. Am. Chem. Soc. 1996, 118, 9178.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 9178
    • Buma, W.J.1    Zerbetto, F.2
  • 15
    • 0001040935 scopus 로고
    • Buma, W. J.; Kohler, B. E.; Song, K. J. Chem. Phys. 1990, 92, 4622; ibid. 1991, 94, 6367.
    • (1991) J. Chem. Phys. , vol.94 , pp. 6367
  • 19
    • 0031587469 scopus 로고    scopus 로고
    • The experimental setup has been described in Zwier, J. M.; Wiering, P. G.; Brouwer, A. M.; Bebelaar, D.; Buma, W. J. J. Am. Chem. Soc. 1997, 119, 11523 with the change that in the present experiments pulsed supersonic expansions, created by a 0.5 mm pulsed valve (General Valve Iota One System), were employed instead of continuous expansions. To probe molecules that are not as efficiently cooled as one would normally wish. 500 mbar He mixed with room-temperature hexatriene was expanded into a vacuum of 0.05 mbar, and excitation occurred within one nozzle diameter.
    • (1997) J. Am. Chem. Soc. , vol.119 , pp. 11523
    • Zwier, J.M.1    Wiering, P.G.2    Brouwer, A.M.3    Bebelaar, D.4    Buma, W.J.5
  • 22
    • 0001968788 scopus 로고
    • 1 normal coordinates that were obtained from (6π electrons, 6π orbitals) CASSCF/6-31G* force fields. Transition moments were calculated using full-CI calculations in the space of 3π and 3π* ground-state HF/6-31G* MOs. Ab initio calculations have been performed with the GAMESS-DAKOTA package: Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Koseki, S.; Gordon, M. S.; Nguyen, K. A.; Windus. T. L.; Elbert, S. T. QCPE Bull. 1990, 10, 52.
    • (1990) QCPE Bull. , vol.10 , pp. 52
    • Schmidt, M.W.1    Baldridge, K.K.2    Boatz, J.A.3    Koseki, S.4    Gordon, M.S.5    Nguyen, K.A.6    Windus, T.L.7    Elbert, S.T.8


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.