Determining the Height of Energy Barriers of the Cyclohexene Molecule Using Stochastic Approximation

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The Monte Carlo method (stochastic approximation) is used for calculating the relative values of density of the states of the cyclohexene molecule in the space of Cremer–Pople coordinates. Using this data, the heights of the energy barriers separating the molecule stereoisomers are estimated.

作者简介

A. Teplukhin

Institute of Mathematical Problems of Biology—Branch of the Keldysh Institute of Applied Mathematics, Russian Academy of Sciences

编辑信件的主要联系方式.
Email: tepl@impb.ru
142290, Pushchino, Moscow oblast, Russia

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