A novel partition function for partially asymmetrical internal rotation
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference13 articles.
1. Beyond the Harmonic Approximation: Impact of Anharmonic Molecular Vibrations on the Thermochemistry of Silicon Hydrides
2. G. Katzer, A.F. Sax, J. Comp. Chem. (submitted)
3. Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation: II. Unsymmetrical Tops Attached to a Rigid Frame
4. Partition functions and densities of states for butane and pentane
5. Asymmetric internal rotation: Application to the 2-C4H9CH3+C3H6 reaction
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2. Methods for Calculating Partition Functions of Molecules Involving Large Amplitude and/or Anharmonic Motions;Journal of Chemical Theory and Computation;2016-02-04
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4. The Role of Multifunctional Kinetics during Early-Stage Silicon Hydride Pyrolysis: Reactivity of Si2H2 Isomers with SiH4 and Si2H6;The Journal of Physical Chemistry A;2011-03-01
5. Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation;Physical Chemistry Chemical Physics;2011
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