Perturbative treatment of anharmonic vibrational effects on bond distances: An extended langevin dynamics method

Tonghao Shen, Neil Qiang Su, Anan Wu, Xin Xu. Perturbative treatment of anharmonic vibrational effects on bond distances: An extended langevin dynamics method. Journal of Computational Chemistry, 35(6):467-478, 2014. [doi]

Abstract

Abstract is missing.