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Title: A note on mathematical relationships among bond-torsion force fields
Authors: Lim, T.-C. 
Keywords: Bond torsion
Conversion matrices
Force field
Issue Date: 2002
Citation: Lim, T.-C. (2002). A note on mathematical relationships among bond-torsion force fields. Journal of Mathematical Chemistry 31 (4) : 421-428. ScholarBank@NUS Repository.
Abstract: A set of mathematical relationship between torsion potential functions such as trigonometric and Fourier series is presented herein. A harmonic approximation form is also introduced, and its stiffness constant is related to the parameters of trigonometric and Fourier series. Mathematical relationships between various force field parameters are presented in the form of conversion matrices.
Source Title: Journal of Mathematical Chemistry
ISSN: 02599791
DOI: 10.1023/A:1021024806235
Appears in Collections:Staff Publications

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