PyFrag 2019—Automating the exploration and analysis of reaction mechanisms
Sun, Xiaobo, Soini, Thomas M., Poater, Jordi, Hamlin, Trevor A., Bickelhaupt, F. MatthiasLanguage:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.25871
Date:
June, 2019
File:
PDF, 2.05 MB
english, 2019