Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
- 13 November 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 118 (45), 11225-11236
- https://doi.org/10.1021/ja9621760
Abstract
No abstract availableKeywords
This publication has 46 references indexed in Scilit:
- Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94Journal of Computational Chemistry, 1996
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Liquid densities from 288 to 490 K of four organic oxygen compoundsThe Journal of Chemical Thermodynamics, 1983
- Thermodynamics of polymerization of heterocyclic compounds part V. The heat capacity, entropy, enthalpy and free energy of 1,3-dioxolan and poly-1,3-dioxolanPolymer, 1969
- Thermodynamic Properties and Rotational Isomerism of 2-Thiabutane1Journal of the American Chemical Society, 1951
- Refractivity and Molecular Structure. III. Isomeric Propyl and Butyl MercaptansJournal of the American Chemical Society, 1950
- The Heat Capacity, Entropy, Heats of Fusion, Transition, and Vaporization and Vapor Pressures of Methyl MercaptanJournal of the American Chemical Society, 1942
- The Heat Capacity and Entropy, Heats of Fusion and Vaporization, and the Vapor Pressure of Dimethyl Ether. The Density of Gaseous Dimethyl EtherJournal of the American Chemical Society, 1941
- Propylene. The Heat Capacity, Vapor Pressure, Heats of Fusion and Vaporization. The Third Law of Thermodynamics and Orientation Equilibrium in the SolidJournal of the American Chemical Society, 1939