Computational Chemistry 2.8 - MM Out-of-Plane Terms

Published: 16 March 2017
on channel: TMP Chem
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Short lecture on out of plane energy terms in molecular mechanics.

For each out of plane angle in molecular mechanics, the energy terms is half the rotation barrier times 1 plus the cosine of 2 times the out of plane angle minus 180 degrees. Each out of plane angle requires only one empirical parameter.

Notes Slide: http://i.imgur.com/cKTnCA5.png

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