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'''PCFF''' is a member of the consistent family of force fields ([[CFF91]], PCFF, [[CFF]] and [[COMPASS]]), which are closely related second-generation [[force fields]]. They were parameterized against a wide range of experimental observables for organic compounds containing [[hydrogen |H]], [[carbon |C]], [[nitrogen |N]], [[oxygen |O]], [[Sulfur |S]], [[Phosphorus |P]], halogen atoms and ions, alkali metal cations, and several biochemically important divalent metal cations. PCFF is based on CFF91, extended so as to have a broad coverage of organic polymers, (inorganic) metals, and [[zeolites]]. It was developed based on CFF91 and its is intended for application to [[polymers]] and organic materials. It is useful for polycarbonates, melamine resins, polysaccharides, other polymers, organic and inorganic materials, about 20 inorganic metals, as well as for carbohydrates, [[lipids]], and [[nucleic acids]] in calculations of cohesive energies, mechanical properties, [[Compressibility |compressibilities]], [[Heat capacity |heat capacities]], [[elastic constants]]. It handles electron delocalization in aromatic rings by means of a charge library rather than bond increments.
 
'''PCFF''' is a member of the consistent family of force fields ([[CFF91]], PCFF, [[CFF]] and [[COMPASS]]), which are closely related second-generation [[force fields]]. They were parameterized against a wide range of experimental observables for organic compounds containing [[hydrogen |H]], [[carbon |C]], [[nitrogen |N]], [[oxygen |O]], [[Sulfur |S]], [[Phosphorus |P]], halogen atoms and ions, alkali metal cations, and several biochemically important divalent metal cations. PCFF is based on CFF91, extended so as to have a broad coverage of organic polymers, (inorganic) metals, and [[zeolites]]. It was developed based on CFF91 and its is intended for application to [[polymers]] and organic materials. It is useful for polycarbonates, melamine resins, polysaccharides, other polymers, organic and inorganic materials, about 20 inorganic metals, as well as for carbohydrates, [[lipids]], and [[nucleic acids]] in calculations of cohesive energies, mechanical properties, [[Compressibility |compressibilities]], [[Heat capacity |heat capacities]], [[elastic constants]]. It handles electron delocalization in aromatic rings by means of a charge library rather than bond increments.
==Functional form==
 
==Parameters==
 
 
==References==  
 
==References==  
 
#[http://dx.doi.org/10.1021/ja00086a030 Huai Sun, Stephen J. Mumby, Jon R. Maple, Arnold T. Hagler "An ab Initio CFF93 All-Atom Force Field for Polycarbonates", Journal of the American Chemical Society '''116''' pp. 2978–2987 (1994)]
 
#[http://dx.doi.org/10.1021/ja00086a030 Huai Sun, Stephen J. Mumby, Jon R. Maple, Arnold T. Hagler "An ab Initio CFF93 All-Atom Force Field for Polycarbonates", Journal of the American Chemical Society '''116''' pp. 2978–2987 (1994)]
 
[[category: force fields]]
 
[[category: force fields]]

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