Canonical Molecular Dynamics of Molecules with Internal Degrees of Freedom
- 1 March 1990
- journal article
- research article
- Published by Wiley in Berichte der Bunsengesellschaft für physikalische Chemie
- Vol. 94 (3) , 274-278
- https://doi.org/10.1002/bbpc.19900940316
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- Nosé equation for a one-dimensional oscillator: Resonance zones and the transition to large-scale irregular dynamicsPhysical Review A, 1988
- Comment on constrained molecular dynamics of macromoleculesThe Journal of Chemical Physics, 1987
- Constrained molecular dynamics: Simulations of liquid alkanes with a new algorithmThe Journal of Chemical Physics, 1986
- Canonical dynamics of the Nosé oscillator: Stability, order, and chaosPhysical Review A, 1986
- The Nose–Hoover thermostatThe Journal of Chemical Physics, 1985
- Canonical dynamics: Equilibrium phase-space distributionsPhysical Review A, 1985
- A unified formulation of the constant temperature molecular dynamics methodsThe Journal of Chemical Physics, 1984
- A molecular dynamics method for simulations in the canonical ensembleMolecular Physics, 1984
- Ordered and stochastic behavior in a two-dimensional Lennard-Jones systemPhysical Review A, 1983
- Estimation of Anharmonic Potential Constants. I. Linear XY2 MoleculesBulletin of the Chemical Society of Japan, 1965