Crossref journal-article
American Association for the Advancement of Science (AAAS)
Science (221)
Abstract

Theoretical investigations of the transition structures of additions and cycloadditions reveal details about the geometries of bond-forming processes that are not directly accessible by experiment. The conformational analysis of transition states has been developed from theoretical generalizations about the preferred angle of attack by reagents on multiple bonds and predictions of conformations with respect to partially formed bonds. Qualitative rules for the prediction of the stereochemistries of organic reactions have been devised, and semi-empirical computational models have also been developed to predict the stereoselectivities of reactions of large organic molecules, such as nucleophilic additions to carbonyls, electrophilic hydroborations and cycloadditions, and intramolecular radical additions and cycloadditions.

Bibliography

Houk, K. N., Paddon-Row, M. N., Rondan, N. G., Wu, Y.-D., Brown, F. K., Spellmeyer, D. C., Metz, J. T., Li, Y., & Loncharich, R. J. (1986). Theory and Modeling of Stereoselective Organic Reactions. Science, 231(4742), 1108–1117.

Authors 9
  1. Kendall N. Houk (first)
  2. Michael N. Paddon-Row (additional)
  3. Nelson G. Rondan (additional)
  4. Yun-Dong Wu (additional)
  5. Frank K. Brown (additional)
  6. David C. Spellmeyer (additional)
  7. James T. Metz (additional)
  8. Yi Li (additional)
  9. Richard J. Loncharich (additional)
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Dates
Type When
Created 18 years, 10 months ago (Oct. 5, 2006, 4:28 p.m.)
Deposited 1 year, 7 months ago (Jan. 14, 2024, 4:20 a.m.)
Indexed 2 months, 4 weeks ago (May 31, 2025, 6:42 a.m.)
Issued 39 years, 5 months ago (March 7, 1986)
Published 39 years, 5 months ago (March 7, 1986)
Published Print 39 years, 5 months ago (March 7, 1986)
Funders 0

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@article{Houk_1986, title={Theory and Modeling of Stereoselective Organic Reactions}, volume={231}, ISSN={1095-9203}, url={http://dx.doi.org/10.1126/science.3945819}, DOI={10.1126/science.3945819}, number={4742}, journal={Science}, publisher={American Association for the Advancement of Science (AAAS)}, author={Houk, Kendall N. and Paddon-Row, Michael N. and Rondan, Nelson G. and Wu, Yun-Dong and Brown, Frank K. and Spellmeyer, David C. and Metz, James T. and Li, Yi and Loncharich, Richard J.}, year={1986}, month=mar, pages={1108–1117} }