Method for Calculation of the Conformation of Minimum Potential‐Energy and Thermodynamic Functions of Molecules from Empirical Valence‐Force Potentials—Application to the Cyclophanes-Reference-Cited by-同舟云学术

Method for Calculation of the Conformation of Minimum Potential‐Energy and Thermodynamic Functions of Molecules from Empirical Valence‐Force Potentials—Application to the Cyclophanes

Published:1968-09-15 Issue:6 Volume:49 Page:2574-2583
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Boyd Richard H.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1670456

Reference21 articles.

1. A Scheme for Strain Energy Minimization. Application to the Cycloalkanes1

2. Function minimization by conjugate gradients

3. Conformational Analysis of Macromolecules. II. The Rotational Isomeric States of the Normal Hydrocarbons

4. Conformational Analysis of Macromolecules. II. The Rotational Isomeric States of the Normal Hydrocarbons

5. Studies of the structure, thermal expansion and molecular vibrations of di- p -xylylene, C 16 H 16 , at 93 and 291 °K

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