Ab Initio Interaction Potentials for Simulations of Dimethylnitramine Solutions in Supercritical Carbon Dioxide with Cosolvents
- 20 August 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (36) , 7322-7340
- https://doi.org/10.1021/jp991212p
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- Investigation of the CH3CN−CO2 Potential Energy Surface Using Symmetry-Adapted Perturbation TheoryThe Journal of Physical Chemistry A, 1998
- Topography of potential-energy surfaces for Van der Waals complexesFaraday Discussions, 1994
- Many-body perturbation theory of frequency-dependent polarizabilities and van der Waals coefficients: Application to H2O–H2O and Ar–NH3The Journal of Chemical Physics, 1992
- Monte Carlo simulations of liquid acetonitrile with a three-site modelMolecular Physics, 1988
- Polarizability ofstudied in molecular-beam laser Stark spectroscopyPhysical Review A, 1987
- A molecular dynamics study of liquid methanol with a flexible three-site modelThe Journal of Physical Chemistry, 1987
- The carbon dioxide moleculeMolecular Physics, 1986
- Optimized intermolecular potential functions for liquid alcoholsThe Journal of Physical Chemistry, 1986
- Transferable potential functions from quantum-mechanical calculations of intermolecular interaction energiesThe Journal of Physical Chemistry, 1982
- A revised empirical potential for conformational, intermolecular, and solvation studies. 1. Evaluation of problem and description of modelThe Journal of Physical Chemistry, 1978