Consequences of Theory Level Choice Evaluated with New Tools from QTAIM and the Stress Tensor for a Dipeptide Conformer
Li, Jiahui, Xu, Tianlv, Ping, Yang, van Mourik, Tanja, Früchtl, Herbert, Kirk, Steven R., Jenkins, SamanthaLanguage:
english
Journal:
Chemical Physics Letters
DOI:
10.1016/j.cplett.2018.02.041
Date:
February, 2018
File:
PDF, 1.63 MB
english, 2018