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About: VALBOND     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : yago:WikicatForceFields, within Data Space : dbpedia.demo.openlinksw.com associated with source document(s)

Type: softwareyago:Field111456760yago:NaturalPhenomenon111408559yago:Phenomenon100034213yago:PhysicalEntity100001930yago:PhysicalPhenomenon111419404yago:Process100029677yago:WikicatForceFields New Facet based on Instances of this Class

In molecular mechanics, VALBOND is a method for computing the angle bending energy that is based on valence bond theory. It is based on orbital strength functions, which are maximized when the hybrid orbitals on the atom are orthogonal. The hybridization of the bonding orbitals are obtained from empirical formulas based on Bent's rule, which relates the preference towards p character with electronegativity.