期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：1971
卷号：68
期号：10
页码：2463-2467
DOI：10.1073/pnas.68.10.2463
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：A calculation based on transition-state theory leads to the conclusion that rate accelerations of 103-105 could be achieved in an optimally oriented reaction relative to a similar randomly oriented bimolecular reaction. This factor is obtained by the use of partition functions of simplified systems and is based on contributions to rotational and vibrational entropy from reasonable transition states. A simple harmonic oscillator calculation leads to a similar conclusion for series of intramolecular reactions. Although the uncertainty in theoretical calculations of this type is considerable, the results add support to the conclusion based on experimental studies that orientation factors can play a very significant role in the catalytic power of enzymes.
