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Potential energy functions of polyatomic molecules

✍ Scribed by D.C. Clary


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
586 KB
Volume
41
Category
Article
ISSN
0301-0104

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It is shown that the non-crossing rule for the intersection of potential energy curves of diatomic molecules applies also to potential energy surfaces of polyatomic molecules.

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Lattice models of proteins can approximate off-lattice structures to arbitrary precision with RMS (root mean squared) deviations roughly equal to half the lattice spacing (Rykunov et al., Proteins 22:10&109, 1995; Reva et al., J. Comp. Biol., 1996). However, even small distortions in the positions o