A Quantum Chemistry Based Force Field for Perfluoroalkanes and Poly(tetrafluoroethylene)
- 1 September 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 106 (38), 9912-9922
- https://doi.org/10.1021/jp026158i
Abstract
No abstract availableThis publication has 27 references indexed in Scilit:
- Perfluoroalkanes: Conformational Analysis and Liquid-State Properties from ab Initio and Monte Carlo CalculationsThe Journal of Physical Chemistry A, 2001
- Quantum Chemistry Based Force Field for Simulations of Poly(vinylidene fluoride)Macromolecules, 2000
- Conformational and orientational order and disorder in solid polytetrafluoroethyleneMolecular Physics, 1999
- Intermolecular potentials and vapor–liquid phase equilibria of perfluorinated alkanesFluid Phase Equilibria, 1998
- Explicit reversible integrators for extended systems dynamicsMolecular Physics, 1996
- Thermodynamic Properties of Perfluorinated Linear Alkanes and Poly(tetrafluoroethylenes) Measured by PVT and Thermal AnalysisMacromolecules, 1994
- Conformations and order in atactic poly(vinyl chloride) melts from molecular dynamics simulationsMacromolecules, 1993
- Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functionsThe Journal of Chemical Physics, 1992
- Physical Properties of Perfluoro-n-hexane and Perfluoro-2-methylpentaneJournal of the American Chemical Society, 1952
- Physical Properties of Perfluoropentanes1aJournal of the American Chemical Society, 1951