OPLS All-Atom Model for Amines: Resolution of the Amine Hydration Problem
- 1 May 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 121 (20), 4827-4836
- https://doi.org/10.1021/ja984106u
Abstract
No abstract availableThis publication has 36 references indexed in Scilit:
- Free energies of solvation in chloroform and water from a linear response approachJournal of Physical Organic Chemistry, 1997
- Calculation of molecular geometries, relative conformational energies, dipole moments, and molecular electrostatic potential fitted charges of small organic molecules of biochemical interest by density functional theoryJournal of Computational Chemistry, 1995
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- MCD spectra of diphenylmethyl cation and anion. A test of the pairing theoremJournal of the American Chemical Society, 1976
- Thermodynamic excess functions of methanol + piperidine at 298.15 KThe Journal of Chemical Thermodynamics, 1975
- Conformational analysis of pentamethylene heterocyclesChemical Reviews, 1975
- Conformation of piperidine and of derivatives with additional ring hetero atomsAccounts of Chemical Research, 1975
- Physical properties of some sulfur and nitrogen compoundsJournal of Chemical & Engineering Data, 1969
- The Heat Capacity and Entropy, Heats of Fusion and Vaporization and the Vapor Pressure of Trimethylamine. The Entropy from Spectroscopic and Molecular DataJournal of the American Chemical Society, 1944
- Heat Capacities and Entropies of Organic Compounds. III. Methylamine from 11.5°K. to the Boiling Point. Heat of Vaporization and Vapor Pressure. The Entropy from Molecular DataJournal of the American Chemical Society, 1937