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https://doi.org/10.1023/A:1021024806235
| 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. https://doi.org/10.1023/A:1021024806235 | 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 | URI: | http://scholarbank.nus.edu.sg/handle/10635/54573 | ISSN: | 02599791 | DOI: | 10.1023/A:1021024806235 |
| Appears in Collections: | Staff Publications |
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