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Force field models, empirical torsional terms

EFF (Empirical force field) [186] has been designed just for modeling hydrocarbons. It uses the quartic anharmonic potential for the bond stretching, and the cubic anharmonic for the valence angle bending. No out of plane or electrostatic terms are involved, although the cross terms, except torsion-torsion and bend-torsion ones, are included. [Pg.168]


See other pages where Force field models, empirical torsional terms is mentioned: [Pg.83]    [Pg.468]    [Pg.132]    [Pg.405]    [Pg.175]    [Pg.44]    [Pg.404]    [Pg.48]    [Pg.46]    [Pg.17]    [Pg.177]    [Pg.241]    [Pg.129]    [Pg.276]    [Pg.339]    [Pg.228]    [Pg.1543]    [Pg.1923]    [Pg.2624]    [Pg.93]    [Pg.335]    [Pg.82]    [Pg.99]   


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Empirical force field

Empirical modeling

Empirical models

Field modeling

Force field models, empirical

Torsion, force fields

Torsion/torsional terms

Torsional force field

Torsional forces

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