Displacement coordinates in molecular dynamics
- 1 June 1984
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 87 (1) , 43-53
- https://doi.org/10.1016/0301-0104(84)85137-x
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- The anharmonic Urey-Bradley force field; the computational algorithm and its application to CF4Spectrochimica Acta Part A: Molecular Spectroscopy, 1981
- A computer algorithm for the convenient normal-coordinate analysis of molecules with redundant coordinatesSpectrochimica Acta Part A: Molecular Spectroscopy, 1981
- Redundant coordinates and lagrance equations for molecular vibrationsChemical Physics, 1977
- Anharmonic force constant calculationsMolecular Physics, 1972
- Normal Coordinates: General Theory, Redundant Coordinates, and General Analysis Using Electronic ComputersThe Journal of Chemical Physics, 1971
- Redundant coordinates in harmonic force-field calculationsChemical Physics Letters, 1969
- Redundant coordinates in the harmonic approximationChemical Physics Letters, 1968
- Least-Squares Adjustment of Anharmonic Potential Constants: Application to 12CO2 and 13CO2The Journal of Chemical Physics, 1965
- Anharmonic potential function for polyatomic moleculesCollection of Czechoslovak Chemical Communications, 1958
- Some Studies Concerning Rotating Axes and Polyatomic MoleculesPhysical Review B, 1935