Open AccessDevelopment of ab initio techniques critical for future science-based explosives R&D
Author(s) -
Ryan R. Wixom,
Ann E. Mattsson
Publication year - 2013
Language(s) - English
Resource type - Reports
DOI - 10.2172/1115273
Subject(s) - density functional theory , van der waals force , explosive material , intermolecular force , materials science , molecular dynamics , computational chemistry , crystal (programming language) , chemical physics , energetic material , ab initio , crystal structure prediction , thermodynamics , molecule , chemistry , computer science , physics , organic chemistry , programming language