Mathematical relationships between bond-bending force fields

DOI10.1023/A:1022174923270MaRDI QIDQ1866139zbMATH OpenOpenAlexFDO

Authors Teik-Cheng Lim

Publication date 3 April 2003

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1023/a:1022174923270

zbMATH Keywords

Fourier seriesforce fieldspolynomial formsharmonic potentialsbond-bending

Mathematics Subject Classification ID

Chemistry (92E99) Equations linearized about a deformed state (small deformations superposed on large) (74B15) Statics (70C20) Chemical structure in solid mechanics (74E40)

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(6)

• A note on mathematical relationships among bond-torsion force fields
• A short note on the fast evaluation of dihedral angle potentials and their derivatives
• Mathematical connections between bond-stretching potential functions
• Polynomial forms of typical interatomic potential functions
• Application of Kihara parameters in conventional molecular force fields
• Bond theory for pentapods and hexapods

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