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Coupling between bonds

Like MM2, MM-t includes coupling between bond stretching and angle bending. If the angle is defined to include atoms i, j, and k, where k is the central atom, then MM-t couples stretching of the ik and jk bonds with the angle ... [Pg.186]

Here is a constant that depends on the nature of atoms A, B and C. Not only that, both MM-f and MM2 allow for coupling between bond-stretching and angle-bending. Electrostatic interactions are accounted for by the interaction of bond dipoles rather than point charges. [Pg.45]

In the LM model, molecular vibrations are treated as motions of individual anharmonic bonds [38] (usually Morse oscillators). They therefore include anharmonicity, but not coupling between bonds, thus requiring inclusion of interbond coupling for obtaining a better description. For the case of t identical Morse oscillators, the energy levels related to the LM Hamiltonian are given by... [Pg.29]

Ritchie (2) suggested that the differences between the reactions that follow the Swain-Scott and the Ritchie equations stem from the coupling between bond formation and bond cleavage in the SN2 process as opposed to only... [Pg.178]


See other pages where Coupling between bonds is mentioned: [Pg.50]    [Pg.26]    [Pg.43]    [Pg.38]    [Pg.286]    [Pg.60]    [Pg.134]    [Pg.21]    [Pg.107]    [Pg.79]    [Pg.26]    [Pg.199]    [Pg.107]    [Pg.109]    [Pg.111]    [Pg.113]    [Pg.115]    [Pg.117]    [Pg.119]    [Pg.121]    [Pg.123]    [Pg.125]    [Pg.127]    [Pg.172]    [Pg.180]    [Pg.42]    [Pg.80]    [Pg.621]    [Pg.47]    [Pg.196]    [Pg.226]    [Pg.497]    [Pg.530]    [Pg.290]    [Pg.276]    [Pg.326]    [Pg.418]    [Pg.33]    [Pg.21]    [Pg.335]   
See also in sourсe #XX -- [ Pg.107 ]




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