Heats of formation from Molecular Mechanics
- From: Mr Andrew D Allen <chp1aa "at@at" surrey.ac.uk>
- Subject: Heats of formation from Molecular Mechanics
- Date: Fri, 13 May 94 12:05:50 BST
A colleague of mine is doing a series of studies on some molecules and wants
to obtain a value of Heat of Formation from steric / strain energies from
molecular mechanics methods. She doesn't want to spend expensive time and
resources doing Semi-empirical work for these molecules.
Any help or pointers welcome
Andy
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