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Pitzer Inertias 1.0
File ID: 81730






Pitzer Inertias 1.0
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License: Freeware
File Size: 256.0 KB
Downloads: 29
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Pitzer Inertias 1.0 Description
Description: 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.

License: Freeware

Related: Physical, chemistry, journal, Field, bryan, robert, values, outputted, figure, aforementioned, depicted, correspond, pitzer, Publication, effective, calculating, Codes, matlab

O/S:BSD, Linux, Solaris, Mac OS X

File Size: 256.0 KB

Downloads: 29



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