Difference between revisions of "WBFF force field"

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'''WBFF''' (White-Bovill [[Force fields | Force-Field]]) <ref>[http://dx.doi.org/10.1039/P29770001610 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)]</ref> is designed for molecular mechanics calculations of [[Realistic models#Alkanes |alkanes]], specifically for H, C(''sp''<sup>2</sup>) and  C(''sp''<sup>3</sup>).
 
'''WBFF''' (White-Bovill [[Force fields | Force-Field]]) <ref>[http://dx.doi.org/10.1039/P29770001610 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)]</ref> is designed for molecular mechanics calculations of [[Realistic models#Alkanes |alkanes]], specifically for H, C(''sp''<sup>2</sup>) and  C(''sp''<sup>3</sup>).
 
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==Functional form==
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==Parameters==
 
==References==
 
==References==
 
<references/>
 
<references/>
 
[[Category: Force fields]]
 
[[Category: Force fields]]

Latest revision as of 15:04, 5 March 2010

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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[edit]

Parameters[edit]

References[edit]