Incorporation of bond-length constraints in Monte Carlo simulations of cyclic and linear molecules: Conformational sampling for cyclic alkanes as test systems-Reference-Cited by-同舟云学术

Incorporation of bond-length constraints in Monte Carlo simulations of cyclic and linear molecules: Conformational sampling for cyclic alkanes as test systems

Published:1994-10 Issue:10 Volume:15 Page:1121-1126
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Pertsin Alexander J.,Hahn Jutta,Grossmann Hans P.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference11 articles.

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2. Ring Closure in Chain Molecules with Cn,I, and S2n Symmetry

3. Monte Carlo studies on the freely jointed polymer chain with excluded volume interaction

4. Comprehensive conformational analysis of the four- to twelve-membered ring cycloalkanes: identification of the complete set of interconversion pathways on the MM2 potential energy hypersurface

5. Searching for conformers of nine- to twelve-ring hydrocarbons on the MM2 and MM3 energy surfaces: Stochastic search for interconversion pathways

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