ChemInform Abstract: A Force Field for Simulations of 1,2-Dimethoxyethane and Poly( oxyethylene) Based Upon ab initio Electronic Structure Calculations on Model Molecules.

ChemInform ◽  
2010 ◽  
Vol 25 (10) ◽  
pp. no-no
Author(s):  
G. D. SMITH ◽  
R. L. JAFFE ◽  
D. Y. YOON
Keyword(s):  
Electronic Structure ◽  
Force Field ◽  
Ab Initio ◽  
Electronic Structure Calculations ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure

Ab initio electronic structure calculations and optical properties of ordered and disordered Ni3Al

2011 ◽  
Vol 509 (17) ◽  
pp. 5230-5237 ◽  
Author(s):  
Altaf Hussain ◽  
Sitaram Aryal ◽  
Paul Rulis ◽  
M. Arshad Choudhry ◽  
Jun Chen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Structure Calculations ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure
Sign in / Sign up

Export Citation Format

Share Document