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Volumn 112, Issue 49, 2008, Pages 12637-12646

An investigation of the rotamers of butadiene by high-resolution infrared spectroscopy

Author keywords

[No Author keywords available]

Indexed keywords

GAS PHASE; HIGH RESOLUTIONS; HOT BANDS; INFRARED SPECTRUMS; Q BRANCHES; ROTAMER; ROTAMERS; ROTATIONAL STRUCTURES; SUB BANDS;

EID: 58149229488     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp807677y     Document Type: Article
Times cited : (23)

References (38)
  • 7
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    • Saltiel, J.; Sears, D. F.. Jr.; Turek, A. M. J. Phys. Chem. A 2001, 105, 7569-7578.
    • Saltiel, J.; Sears, D. F.. Jr.; Turek, A. M. J. Phys. Chem. A 2001, 105, 7569-7578.
  • 9
    • 0004474744 scopus 로고
    • We evaluated the reported potential function at various angles to obtain the energies and angles reported here. Only the parameters of the potential function and the graph were supplied in the paper
    • Engeln, R.; Consalvo, D.; Ruess, J. Chem. Phys. 1992, 160, 427-433. We evaluated the reported potential function at various angles to obtain the energies and angles reported here. Only the parameters of the potential function and the graph were supplied in the paper.
    • (1992) Chem. Phys , vol.1 , Issue.60 , pp. 427-433
    • Engeln, R.1    Consalvo, D.2    Ruess, J.3
  • 16
    • 58149274042 scopus 로고    scopus 로고
    • Computed by Gaussian 03 C.02 with a B3LYP/aug-cc-pVTZ model.
    • Computed by Gaussian 03 C.02 with a B3LYP/aug-cc-pVTZ model.
  • 17
    • 58149272724 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain. S, Farkas. O, Malick, D. K, Rabuck. A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox. D. J, Keith, T, Al-Laha
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.;. Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain. S.; Farkas. O.; Malick, D. K.; Rabuck. A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox. D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong. M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.02; Gaussian Inc., Wallingford, CT, 2004.
  • 23
  • 34
    • 58149219652 scopus 로고    scopus 로고
    • Computed by David Feller with the method described in ref 38.
    • Computed by David Feller with the method described in ref 38.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.