High-Level Ab Initio Electronic Structure Calculations of Water Clusters (H2O)16 and (H2O)17: A New Global Minimum for (H2O)16

2010 ◽  
Vol 1 (20) ◽  
pp. 3122-3127 ◽  
Author(s):  
Soohaeng Yoo ◽  
Edoardo Aprà ◽  
Xiao Cheng Zeng ◽  
Sotiris S. Xantheas
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Global Minimum ◽  
Water Clusters ◽  
Electronic Structure Calculations ◽  
High Level ◽  
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