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Universal Force Field (UFF) energy terms: bond stretch, angle bend, torsion, inversion, and van der Waals contributions.
Reference: Rappé et al., J. Am. Chem. Soc. 1992, 114, 10024–10035.
Structs§
- UffAngle
Bend - Three-term Fourier angle-bending term used in UFF.
- UffHarmonic
Bond Stretch - Classical harmonic bond-stretch term in UFF.
- UffInversion
- Wilson-Decius-Cross inversion term for near-planar UFF centers.
- UffLennard
Jones - UFF Lennard-Jones 12-6 non-bonded interaction.
- UffTorsion
- UFF torsion term: E = 0.5 * V * [1 - cos(phi0) * cos(n * phi)].