A molecular dynamics simulation study with a combined quantum mechanical and molecular mechanical potential energy function: Solvation effects on the conformational equilibrium of dimethoxyethane-Reference-Cited by-同舟云学术

A molecular dynamics simulation study with a combined quantum mechanical and molecular mechanical potential energy function: Solvation effects on the conformational equilibrium of dimethoxyethane

Published:1995-01-22 Issue:4 Volume:102 Page:1722-1730
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Liu Haiyan,Müller‐Plathe Florian,van Gunsteren Wilfred F.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.468699

Reference41 articles.

1. Importance of an intramolecular 1,5-CH…O interaction and intermolecular interactions as factors determining conformational equilibria in 1,2-dimethoxyethane: a matrix-isolation infrared spectroscopic study

2. NMR Studies and Conformational Energy Calculations of 1,2-Dimethoxyethane and Poly(oxyethylene)

3. Raman spectra of perdeuterated ethylene glycol dimethyl ether and diethylene glycol dimethyl ether and the molecular force field of oxyethylene compounds

4. The conformational structure of 1,2-dimethoxy-ethane in the gas phase

5. Can Simple Quantum-Chemical Continuum Models Explain the Gauche Effect in Poly(ethylene oxide)?

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