ab initio simulation on ammonia borane phase transition within van der Waals corrections

Qi Song, Zhenyi Jiang, Zhiyong Zhang, Yuqing Hou, Xiaodong Zhang. ab initio simulation on ammonia borane phase transition within van der Waals corrections. Journal of Computational Chemistry, 36(1):22-32, 2015. [doi]

Abstract

Abstract is missing.