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Volumn 110, Issue 46, 2006, Pages 12572-12584

Microwave spectrum, structure, and quantum chemical studies of a compound of potential astrochemical and astrobiological interest: Z-3-amino-2- propenenitrile

Author keywords

[No Author keywords available]

Indexed keywords

COUPLING CONSTANTS; GAS PHASE; NEUTRAL MOLECULES; TRANSITION STATES;

EID: 33846117921     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp064152d     Document Type: Article
Times cited : (26)

References (77)
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    • Ammonia-15N (10% isotopic purity) purchased from Aldrich was used to minimize the cost. Thus, all the 15N-products (cyanoacetylene-15N, both isotopomers of aminopropenenitrile- 15N and amino-15N-propenenitrile) have a 10% isotopic purity
    • 15N-propenenitrile) have a 10% isotopic purity.
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    • 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, M. C, 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-La
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    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 6/19/03, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory Richland, WA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 6/19/03, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory Richland, WA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.