Parametrization of 2-Bromo-2-Chloro-1,1,1-Trifluoroethane (Halothane) and Hexafluoroethane for Nonbonded Interactions
- 10 January 2004
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 108 (5) , 781-786
- https://doi.org/10.1021/jp0368482
Abstract
No abstract availableThis publication has 37 references indexed in Scilit:
- Perfluoroalkanes: Conformational Analysis and Liquid-State Properties from ab Initio and Monte Carlo CalculationsThe Journal of Physical Chemistry A, 2001
- All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of ProteinsThe Journal of Physical Chemistry B, 1998
- Staggered and eclipsed conformations of C2F6: A systematic ab initio studyJournal of Fluorine Chemistry, 1997
- Amphiphilic sites for general anesthetic action? Evidence from 129Xe-{1H} intermolecular nuclear Overhauser effectsBiochimica et Biophysica Acta (BBA) - Biomembranes, 1997
- An improved force field (MM4) for saturated hydrocarbonsJournal of Computational Chemistry, 1996
- Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94Journal of Computational Chemistry, 1996
- (Vapour+liquid) equilibria and limiting activity coefficients for the three binary mixtures formed from 1,1,2-trichloro-1,2,2-trifluoroethane (freon 113), 1-bromo-1-chloro-2,2,2-trifluoroethane (halothane), and 1-bromo-2-chloro-1,1,2-trifluoroethane (isohalothane)The Journal of Chemical Thermodynamics, 1990
- 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
- Zur Theorie der AlkoholnarkoseNaunyn-Schmiedebergs Archiv für experimentelle Pathologie und Pharmakologie, 1899