Please use this identifier to cite or link to this item:
|Title:||Scaling function between the Exponential-6 and the generalized Lennard-Jones potential functions|
Van der Waals
|Source:||Lim, T.-C. (2003-05). Scaling function between the Exponential-6 and the generalized Lennard-Jones potential functions. Journal of Mathematical Chemistry 33 (3-4) : 279-285. ScholarBank@NUS Repository. https://doi.org/10.1023/A:1024798909685|
|Abstract:||The van der Waals forces for non-bonded interaction can be expressed either by the Exponential-6 or by the Lennard-Jones(m-n) potential functions, whereby m > n. Hitherto a relationship exists between the Exponential-6 and the Lennard-Jones(12-6) potential functions, with a scaling factor ξ = 13. 772 at or near the equilibrium and ξ = 12.0 for long range interaction. This paper attempts to develop relationships between Exponential-6 and a more generalized Lennard-Jones(m-n). Analysis reveals that the relationship exists only when n = 6 and that two sets of scaling factors (as functions of index m) applies for the relationship between Exponential-6 and the Lennard-Jones(m-6), whereby m > 6.|
|Source Title:||Journal of Mathematical Chemistry|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Dec 5, 2017
WEB OF SCIENCETM
checked on Nov 6, 2017
checked on Dec 9, 2017
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.