Carboxylic acids consistent force field

Lifson S, Hagler AT, Dauben P (1979) Consistent force field studies of intermolecular forces in hydrogen bonded crystals. I. Carboxylic acids, amides and the C-O—H hydrogen bonds. J Am Chem Soc 101 5111-5121... 

A. T. Hagler, S. Lifson, and P. Dauber, /. Am. Chem. Soc., 101, 5131 (1979). Consistent Force Field Studies of Intermolecular Forces in H-Bonded Crystals. 3. The C = 0 "H —O Hydrogen Bond and the Analysis of the Energetics and Packing of Carboxylic Acids. 

The families of alkanes, amides and carboxylic acids contain the constituents which comprise most of the amino acid residues of protein chains, and indeed the major motivation for deriving a consistent force field for these families was its potential application for biopolymers. However, a comprehensive consistent force field for biological molecules should include more groups e.g. aromatic and heterocyclic rings, carbohydrate, phosphate and sulfur groups it should also extend considerably the consistent analysis of intramolecular energy parameters pertaining to polypeptide and polynucleotide chains. This could be done fully only if more experimental data could be accumulated to supply the specific needs of the consistent force field analysis. 

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