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Simplified general valence force field

Many such model force fields have been discussed in the literature. [For general discussions, see Herzberg (1945), Wilson et al. (1955), Woodward (1972), and Califano (1976). For discussions of the Urey-Bradley force field, see the review by Duncan (1975). For discussions of the entirely different consistent force field approach, see Lifson and Warshel (1968), Warshel et al. (1970), and Burkert and Allinger (1982).] We have chosen to use a simplified general valence force field (SGVFF), which has been defined as one which contains the minimum possible number of interaction constants compatible with a good fit of the spectra (Califano, 1976). Such a force field has been demonstrated to be very effective for hydrocarbons (Schachtschneider and Snyder, 1963). For this form the potential energy of Eq. (63) is written explicitly as... [Pg.207]

Si,V] MCM-41 mesoporous MCM-41 material containing both silicon and vanadium in the walls of the pores [350,351] cf. footnote SGVFF simplified generalized valence force field... [Pg.9]

The force fields used for biopolymers (and unnatural polymers) are typically simplified versions of the general force field described above. For example, proteins and nucleic acids rarely have C-C bonds that are substantially elongated from normal values or valence angles that are greatly expanded or contracted. Typically, biomolecules achieve their complexity by concatenation of fairly ordinary organic structures, not by distorting molecules from their usual structural parameters. This allows simplifications to be made. [Pg.135]


See other pages where Simplified general valence force field is mentioned: [Pg.451]    [Pg.23]    [Pg.2228]    [Pg.451]    [Pg.23]    [Pg.2228]    [Pg.401]    [Pg.38]    [Pg.109]    [Pg.452]    [Pg.1914]   
See also in sourсe #XX -- [ Pg.451 ]




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