Pitzer Inertias 1.0

Date Added: August 13, 2013 | Visits: 469

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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.

Requirements: No special requirements

Platforms: Matlab

Keyword: Aforementioned, Bryan, Calculating, Chemistry, Codes, Correspond, Depicted, Effective, Field, Figure, Journal, Matlab, Outputted, Physical, Pitzer, Publication, Robert, Values

Users rating: 0/10

License: Freeware

Size: 256 KB

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