WBFF force field

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WBFF (White-Bovill Force-Field) [1] is designed for molecular mechanics calculations of alkanes, specifically for H, C(sp2) and C(sp3).

Functional form

Parameters

References

  1. ↑ David N. J. White and Moira J. Bovill "Molecular mechanics calculations on alkanes and non-conjugated alkenes", Journal of the Chemical Society, Perkin Transactions 2 pp. 1610-1623 (1977)
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