Taking the High Road and Getting There Before You

作者: B. K. Carpenter

DOI: 10.1126/SCIENCE.1206693

关键词:

摘要: Advances in experimental or theoretical methodology sometimes reveal that the existing model for a phenomenon under study is actually incorrect or, at best, incomplete. One long-standing being rethought light of recent results transition state theory (TST) model, especially when applied to selectivity chemical reaction—why more one product forms versus another given set conditions. In conventional TST reactants must scale an energy barrier and pass through form stable products. Reactions with lower barriers are usually favored On page 1300 this issue, Schreiner et al. (1) report low-temperature reaction organic molecule completely odds predictions, proper accounting quantum-mechanical nature nuclei molecules needed explain results.

参考文章(3)
David R. Glowacki, Stephen P. Marsden, Michael J. Pilling, Significance of Nonstatistical Dynamics in Organic Reaction Mechanisms: Time-Dependent Stereoselectivity in Cyclopentyne-Alkene Cycloadditions Journal of the American Chemical Society. ,vol. 131, pp. 13896- 13897 ,(2009) , 10.1021/JA9043054
Peter R Schreiner, Hans Peter Reisenauer, David Ley, Dennis Gerbig, Chia-Hua Wu, Wesley D Allen, Methylhydroxycarbene: Tunneling Control of a Chemical Reaction Science. ,vol. 332, pp. 1300- 1303 ,(2011) , 10.1126/SCIENCE.1203761
Hiroshi Yamataka, Molecular dynamics simulations and mechanism of organic reactions: non-TST behaviors Advances in Physical Organic Chemistry. ,vol. 44, pp. 173- 222 ,(2010) , 10.1016/S0065-3160(08)44004-2