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
Funding
National Research Foundation of Korea
NRF2017R1E1A1A01078109
Samsung
IO201208-07820-01