DOI: 10.1063/1.1747114. Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation. III. Compound Rotation

Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation. III. Compound Rotation

10.1063/1.1747114

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A method is given for calculating the elements of the kinetic energy matrix for rotation for any molecule. The treatment includes the effects due to any number of linked rotating groups, balanced or unbalanced. In a simple case these equations reduce to the simpler ones of the two previous papers of this series. This rotational matrix is then converted into the matrix of the internal rotations. The reduced moments of inertia that form the latter are then used with the methods of the previous papers of this series to calculate energy levels and thermodynamic functions.

Bibliography

Kilpatrick, J. E., & Pitzer, K. S. (1949). Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation. III. Compound Rotation. The Journal of Chemical Physics, 17(11), 1064â1075.

Authors 2

John E. Kilpatrick (first)
Kenneth S. Pitzer (additional)

References 5 Referenced 168

10.1063/1.1723744 / J. Chem. Phys. (1942)
10.1063/1.1932193 / J. Chem. Phys. (1946)
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10.1063/1.1749684 / J. Chem. Phys. (1935)
10.1021/ja01210a045 / J. Am. Chem. Soc. (1946)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 7:07 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 8:20 a.m.)
Indexed	1 month, 3 weeks ago (July 2, 2025, 12:45 a.m.)
Issued	75 years, 9 months ago (Nov. 1, 1949)
Published	75 years, 9 months ago (Nov. 1, 1949)
Published Print	75 years, 9 months ago (Nov. 1, 1949)

Funders 0

None

BibTeX

@article{Kilpatrick_1949, title={Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation. III. Compound Rotation}, volume={17}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1747114}, DOI={10.1063/1.1747114}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kilpatrick, John E. and Pitzer, Kenneth S.}, year={1949}, month=nov, pages={1064–1075} }

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