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Improper Torsions and Out-of-plane Bending Motions

Fig 4 9 Without an out-cf-plane term, the oxygen atom in cyclobutane is predicted to lie out of the plane of the ring (left) rather than in the plane. [Pg.177]

A torsional potential of the following form is then used to maintain the improper torsion angle at 0° or 180°  [Pg.177]

Of these three functional forms, the improper torsion definition is most widely used as it can then be easily included with the proper torsional terms in the force field. However, the [Pg.177]


See other pages where Improper Torsions and Out-of-plane Bending Motions is mentioned: [Pg.194]    [Pg.176]   


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Bending motion

Improper

Out-of-plane bending

Out-of-plane bends

Out-of-plane motion

Plane motion

Torsion/torsional improper

Torsions, improper

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