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Title: Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane

Authors:
ORCiD logo [1] ;  [1]
  1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. S.E., Minneapolis, Minnesota 55455-0431, USA
Publication Date:
Grant/Contract Number:
FG02-86ER13579
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 142 Journal Issue: 4; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1228141

Mielke, Steven L., and Truhlar, Donald G.. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane. United States: N. p., Web. doi:10.1063/1.4905526.
Mielke, Steven L., & Truhlar, Donald G.. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane. United States. doi:10.1063/1.4905526.
Mielke, Steven L., and Truhlar, Donald G.. 2015. "Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane". United States. doi:10.1063/1.4905526.
@article{osti_1228141,
title = {Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane},
author = {Mielke, Steven L. and Truhlar, Donald G.},
abstractNote = {},
doi = {10.1063/1.4905526},
journal = {The Journal of Chemical Physics},
number = 4,
volume = 142,
place = {United States},
year = {2015},
month = {1}
}