DOI: 10.1021/jp972893w. Rotational Barrier for 1,1-Difluoroethane, 1,1,1,2-Tetrafluoroethane, Pentafluoroethane, and Hexafluoroethane: A Density Functional and ab Initio Molecular Orbital Study

Rotational Barrier for 1,1-Difluoroethane, 1,1,1,2-Tetrafluoroethane, Pentafluoroethane, and Hexafluoroethane: A Density Functional and ab Initio Molecular Orbital Study

10.1021/jp972893w

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Parra, R. D., & Zeng, X. C. (1998). Rotational Barrier for 1,1-Difluoroethane, 1,1,1,2-Tetrafluoroethane, Pentafluoroethane, and Hexafluoroethane: A Density Functional and ab Initio Molecular Orbital Study. The Journal of Physical Chemistry A, 102(3), 654â658.

Authors 2

Rubén D. Parra (first)
X. C. Zeng (additional)

References 25 Referenced 20

10.1016/0022-1139(94)03076-6 / J. Fluorine Chem. by Banks R. E. (1994)
10.1063/1.357294 / J. Appl. Phys. by Park H. (1994)
10.1016/S0022-1139(00)80411-X / J. Fluorine Chem. by Gross U. (1993)
10.1063/1.1739988 / J. Chem. Phys. by Solimene N. (1954)
{'key': 'jp972893wb00005/jp972893wb00005_1', 'first-page': '1270', 'volume': '32', 'author': 'Herschbach D. R.', 'year': '1959', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Herschbach D. R. (1959)
10.1016/0022-2860(80)85228-8 / J. Mol. Struct. by Beagley B. (1980)
10.1002/jcc.540130204 / J. Comput. Chem. by Speis M. (1992)
10.1006/jmsp.1995.1114 / J. Mol. Spectrosc. by Villamañan R. M. (1995)
10.1063/1.1840912 / J. Chem. Phys. by Tipton A. B. (1967)
10.1016/0022-2852(67)90079-3 / J. Mol. Spectrosc. by Brown F. B. (1967)
10.1002/(SICI)1097-4555(199602)27:2<111::AID-JRS935>3.0.CO;2-Q / J. Raman Spectrosc. by Eltayeb S. (1996)
{'key': 'jp972893wb00012/jp972893wb00012_1', 'first-page': '23', 'volume': '78', 'author': 'Gallaher K. L.', 'year': '1974', 'journal-title': 'J. Phys. Chem.'} / J. Phys. Chem. by Gallaher K. L. (1974)
{'key': 'jp972893wb00013/jp972893wb00013_1', 'first-page': '62', 'volume': '2', 'author': 'Dixon D. A.', 'year': '1988', 'journal-title': 'Int. J. Supercomput. Appl.'} / Int. J. Supercomput. Appl. by Dixon D. A. (1988)
10.1063/1.471023 / J. Chem. Phys. by Röthlisberger U. (1996)
10.1016/S0022-1139(96)03573-7 / J. Fluorine Chem. by Parra R. D. (1997)
10.1080/002689796174092 / Mol. Phys. by Muir M. (1996)
10.1016/0022-2852(63)90010-9 / J. Mol. Spectrosc. by Edgell F. W. (1963)
10.1016/0022-2852(65)90171-2 / J. Mol. Spectrosc. by Nielsen J. R. (1965)
{'key': 'jp972893wb00019/jp972893wb00019_1', 'volume-title': 'Revision E.2', 'author': 'Frish M. J.', 'year': '1995'} / Revision E.2 by Frish M. J. (1995)
Foresman, B. J.; Frish, Æ.Exploring Chemistry with Electronic StructureMethods; Gaussian Inc. Pittsburgh, PA, 1996; p 64.
10.1016/0022-2860(79)80065-4 / J. Mol. Struct. by Beagley B. (1979)
10.1063/1.1746661 / J. Chem. Phys. by Pace E. L. (1948)
10.1063/1.1729991 / J. Chem. Phys. by Danti A. (1959)
MacQuarrie, D. A.Statistical Thermodynamics; Addison-Wesley: Reading, MA, 1960; p 167.
Allen, G.; Fewster, S. InInternal Rotation in Molecules; Wiley-Interscience: New York, 1974; p 281.

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 1:26 a.m.)
Deposited	3 years, 11 months ago (Sept. 22, 2021, 1:58 p.m.)
Indexed	1 year, 11 months ago (Sept. 13, 2023, 1:15 p.m.)
Issued	27 years, 8 months ago (Jan. 1, 1998)
Published	27 years, 8 months ago (Jan. 1, 1998)
Published Online	27 years, 7 months ago (Jan. 15, 1998)
Published Print	27 years, 8 months ago (Jan. 1, 1998)

Funders 0

None

BibTeX

@article{Parra_1998, title={Rotational Barrier for 1,1-Difluoroethane, 1,1,1,2-Tetrafluoroethane, Pentafluoroethane, and Hexafluoroethane: A Density Functional and ab Initio Molecular Orbital Study}, volume={102}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp972893w}, DOI={10.1021/jp972893w}, number={3}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Parra, Rubén D. and Zeng, X. C.}, year={1998}, month=jan, pages={654–658} }

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