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general force field

Acronym: gff

A force field expressed in terms of 3 N − 6 basis coordinates:
V = 1 2 ∑ f i j S i S j
V = 1 2 ∑ F i j S i S j
where f i j (or F i j) are force constants and the basis coordinates S (or sometimes s) may be internal symmetry coordinates, local symmetry coordinates or any others suitable to the problem, but the number of the coordinates has to be reduced to 3 N − 6 (3 N − 5 for linear molecules), N being the number of atoms in the molecule.
PAC, 1978, 50, 1707 (Definition and symbolism of molecular force constants) on page 1709
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IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term: doi:10.1351/goldbook.G02611.
Original PDF version: http://www.iupac.org/goldbook/G02611.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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