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Number of results

Journal

2009 | 7 | 1 | 193-197

Article title

Relations between Varshni and Morse potential energy parameters

Content

Title variants

Languages of publication

EN

Abstracts

EN
A set of relationships between the Morse and Varshni potential functions for describing covalent bondstretching energy has been developed by imposing equal force constant and equal energy integral. In view of the extensive adoption of Morse function in molecular force fields, this paper suggests two sets of parameter conversions from Varshni to Morse. The parameter conversion based on equal force constant is applicable for small change in bond length, while the parameter conversion based on equal energy integral is more applicable for significant bond-stretching. Plotted results reveal that the Varshni potential function is more suitable for describing hard bonds rather than soft bonds.

Publisher

Journal

Year

Volume

7

Issue

1

Pages

193-197

Physical description

Dates

published
1 - 3 - 2009
online
8 - 1 - 2009

Contributors

  • School of Science & Technology, SIM University, Singapore, Singapore
  • ECE Department, Ngee Ann Polytechnic, Singapore, Singapore

References

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_2478_s11534-008-0122-1
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