The Institute of Chemistry and the Lise Meitner Minerva Center for Computational Quantum Chemistry, The Hebrew University, 91904, Jerusalem, Israel.
Phys Chem Chem Phys. 2010 Aug 21;12(31):8706-20. doi: 10.1039/c001372m. Epub 2010 Jun 24.
This is a personalized Perspective on the development of a valence bond (VB) view of chemical reactivity (J. Am. Chem. Soc., 1981, 103, 3692) as a LEGO process whereby one constructs "reactivity objects", such as barriers, transition states, and reaction intermediates from VB building blocks, and thereby understands and predicts chemical reactivity in a unified manner. In so doing, I have tried to give the reader a panoramic set of applications, from the simple H-exchange reaction all the way to alkane hydroxylation by cytochrome P450 (Prog. Phys. Org. Chem. 1985, 15, 197; Angew. Chem., Int. Ed., 1999, 38, 586).
这是一篇关于化学反应性的价键（VB）观点发展的个性化视角（美国化学学会志，1981 年，103 卷，3692），作为一个 LEGO 过程，通过该过程可以从 VB 构建块构建“反应性物体”，例如势垒、过渡态和反应中间体，从而以统一的方式理解和预测化学反应性。在这样做的过程中，我试图为读者提供一套全景式的应用，从简单的 H 交换反应一直到细胞色素 P450 对烷烃的羟化反应（物理有机化学进展，1985 年，15 卷，197；德国应用化学，1999 年，38 卷，586）。
