Molecular dynamics calculations for the liquid and cubic plastic crystal phases of carbon tetrachloride
- 20 February 1982
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 45 (3) , 521-542
- https://doi.org/10.1080/00268978200100411
Abstract
Molecular dynamics calculations on liquid carbon tetrachloride have been used to parameterize atom-atom intermolecular potentials. The resulting models have been used to study the structure and dynamics of the face centred cubic plastic crystal, phase Ia.Keywords
This publication has 35 references indexed in Scilit:
- Reorientational correlation functions for computer-simulated liquids of tetrahedral moleculesMolecular Physics, 1981
- Neutron diffuse scattering in the disordered phase of CrBr4. I. Experimental. Elastic and quasi-elastic coherent scattering in single crystalsJournal of Physics C: Solid State Physics, 1980
- Neutron diffuse scattering in the disordered phase of CBr4. II. Theoretical evidence of steric hindranceJournal of Physics C: Solid State Physics, 1980
- Molecular dynamics simulation of the plastic phase of solid methaneThe Journal of Chemical Physics, 1980
- Structure and dynamics of associated molecular systems. III. Computer simulation of liquid hydrogen chlorideThe Journal of Chemical Physics, 1980
- Structure and dynamics of liquid carbon tetrachloride.Molecular Physics, 1980
- Polymorphism of the crystalline methylchloromethane compounds. VII. The structures of the ordered phases of the carbon tetrahalidesThe Journal of Chemical Physics, 1980
- Neutron diffraction study of the plastic phases of polycrystalline SF6and CBr4Molecular Physics, 1979
- Analysis of orientationally disordered structures. I. MethodActa Crystallographica Section A, 1973
- Structure and Intermolecular Potential of Liquid Carbon Tetrachloride Derived from X-Ray Diffraction DataThe Journal of Chemical Physics, 1967