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

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Abstract

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.

About the authors

A. V. Teplukhin

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

Author for correspondence.
Email: tepl@impb.ru
142290, Pushchino, Moscow oblast, Russia

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