QRC: A rapid method for connecting transition structures to reactants in the computational analysis of organic reactivity

Tetrahedron Letters

Volumn 44, Issue 45, 2003, Pages 8233-8236

  Goodman, Jonathan M ^a   Silva, María A ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; INFORMATION PROCESSING; INTERMETHOD COMPARISON; INTRINSIC REACTION COORDINATE; MATERIALS; MATHEMATICAL ANALYSIS; QUICK REACTION COORDINATE; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 0141922951     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tetlet.2003.09.074     Document Type: Article

References (8)

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6. Jaguar version 4.2: Schrodinger, Inc., Portland, Oregon, 2000.
7. GAMESS version 20: Iowa State University.: Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. I.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comp. Chem. 1993, 14, 1347-1363.
8. Silva M.A., Pellegrinet S.C., Goodman J.M. J. Org. Chem. 67:2002;8203-8209.