Importance of bimolecular interactions in developing empirical potential functions for liquid ammonia

1993 ◽  
Vol 97 (36) ◽  
pp. 9241-9247 ◽  
Author(s):  
Jiali Gao ◽  
Xinfu Xia ◽  
Thomas F. George
Keyword(s):  
Liquid Ammonia ◽  
Potential Functions ◽  
Empirical Potential ◽  
Bimolecular Interactions

scholarly journals Predicting protein folding cores by empirical potential functions

2009 ◽  
Vol 483 (1) ◽  
pp. 16-22 ◽  
Author(s):  
Mingzhi Chen ◽  
Athanasios D. Dousis ◽  
Yinghao Wu ◽  
Pernilla Wittung-Stafshede ◽  
Jianpeng Ma
Keyword(s):  
Protein Folding ◽  
Potential Functions ◽  
Empirical Potential

A COMPARATIVE STUDY OF EMPIRICAL POTENTIAL ENERGY FUNCTIONS: APPLICATIONS TO SILICON MICROCLUSTERS

2004 ◽  
Vol 15 (03) ◽  
pp. 403-408 ◽  
Author(s):  
ŞAKIR ERKOÇ ◽  
KUNIO TAKAHASHI
Keyword(s):  
Potential Energy ◽  
Comparative Study ◽  
Linear Structure ◽  
Potential Functions ◽  
Energy Functions ◽  
Tetrahedral Structure ◽  
Potential Energy Functions ◽  
Empirical Potential ◽  
Triangular Structure

A comparative study has been performed for silicon microclusters, Si 3 and Si 4, considering fifteen different empirical potential energy functions. It has been found that only two of the empirical potential energy functions give linear structure more stable for Si 3, the remaining potential functions give triangular structure as more stable. In the case of Si 4 microclusters eight potential functions give open tetrahedral structure as more stable, two functions give perfect tetrahedral as more stable, three functions give square structure as more stable, and two functions give linear structure as more stable.

Sign in / Sign up

Export Citation Format

Share Document