Keywords
Free energy perturbationMolecular dynamicsPerturbation (astronomy)Perturbation theory (quantum mechanics)Potential of mean forceThermodynamic integrationRadial distribution functionThermodynamicsPotential energyArgonChemistryPhysicsClassical mechanicsComputational chemistryAtomic physicsQuantum mechanics
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Publication Info
- Year
- 1987
- Type
- article
- Volume
- 142
- Issue
- 6
- Pages
- 472-476
- Citations
- 74
- Access
- Closed
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Cite This
Douglas J. Tobias,
Charles L. Brooks
(1987).
Calculation of free energy surfaces using the methods of thermodynamic perturbation theory.
Chemical Physics Letters
, 142
(6)
, 472-476.
https://doi.org/10.1016/0009-2614(87)80646-2
Identifiers
- DOI
- 10.1016/0009-2614(87)80646-2