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Volumn 126, Issue 19, 2004, Pages 6135-6149

3,5-Pyridyne-A Heterocyclic meta-Benzyne Derivative

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ARGON; COMPUTATIONAL METHODS; DERIVATIVES; GROUND STATE; HYDROGEN; INFRARED SPECTROSCOPY; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; PYROLYSIS; VACUUM APPLICATIONS;

EID: 2442620441     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja039142u     Document Type: Article
Times cited : (62)

References (131)
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    • note
    • 1-32 leads directly to ortho-benzyne at the (U)BLYP/cc-pVTZ level (cf., Figure 4S) without passage through an additional intermediate.
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    • note
    • (b) 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, P.O. Box 999, Richland, WA 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram 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.