Affiliation:
1. Institute of Mathematical Problems of Biology—Branch of the Keldysh Institute of Applied Mathematics, Russian Academy of Sciences
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.
Publisher
The Russian Academy of Sciences
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