Application of semiempirical atom–atom potentials to crystals of acetylene
- 1 August 1980
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (3) , 1376-1380
- https://doi.org/10.1063/1.440254
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- Calculation of Coulombic energy for molecular crystalsActa Crystallographica Section A, 1979
- Use of anisotropic atom-atom potential functions in lattice-dynamical calculations for solid nitrogenMolecular Physics, 1978
- The equivalent charge concept and its application to the electrostatic energy of charges and multipolesJournal de Physique, 1978
- Thermodynamic functions for crystals of “rigid” hydrocarbon molecules: A derivation via the Born-von Karman procedureChemical Physics, 1975
- The structure of solid acetylene-d 2, C2D2, at 4.2 K. A further refinementActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1975
- Lattice-dynamical calculations on some rigid organic moleculesThe Journal of Chemical Physics, 1973
- Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of AlkanesThe Journal of Chemical Physics, 1970
- Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n-Alkane MoleculesThe Journal of Chemical Physics, 1968
- A Model for the Lattice Dynamics of Naphthalene and AnthracenePhysica Status Solidi (b), 1967
- Nonbonded Potential Parameters Derived from Crystalline Aromatic HydrocarbonsThe Journal of Chemical Physics, 1966