Pitzer Inertias

Version 1.0.0.0 (259 KB) by Bryan Wong
MATLAB codes to calculate effective Pitzer inertias for internal rotation
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Updated 28 Aug 2007

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This is a complete set of MATLAB codes for calculating effective Pitzer inertias for large amplitude torsions. Specific examples included in the zip file were taken from the publication by Bryan M. Wong, Ryan L. Thom, and Robert W. Field in The Journal of Physical Chemistry A 110, 7406 - 7413 (2006). The values outputted by I_Pitzer correspond to the Pitzer inertias depicted in Figure 1 (a-f) of the aforementioned publication.

Cite As

Bryan Wong (2024). Pitzer Inertias (https://www.mathworks.com/matlabcentral/fileexchange/16116-pitzer-inertias), MATLAB Central File Exchange. Retrieved .

MATLAB Release Compatibility
Created with R14SP1
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Version Published Release Notes
1.0.0.0