A Bond Valence-Based Force Field: A Multi-Body Approach
The typical form for a molecular mechanics force field consists of a foundation of pair-wise terms to describe bonded and non-bonded atomic interactions, with multi-body correction terms to deal with the limitations of pair-wise terms. I present here the first attempts of a molecular mechanics model...
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| Format: | Others |
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BYU ScholarsArchive
2013
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| Online Access: | https://scholarsarchive.byu.edu/etd/3796 https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=4795&context=etd |