pyMCD: Python package for searching transition states via the multicoordinate driven method
Published: 9 March 2023| Version 1 | DOI: 10.17632/4hpdbk9wd3.1
Contributors:
Kyunghoon Lee, , Description
Input and Output files of running pyMCD tested on six reactions for paper: "pyMCD: Python package for searching transition states via the multicoordinate driven method"
Files
Institutions
Korea Advanced Institute of Science and Technology
Categories
Chemical Reaction, Transition State Analog