GitHub / MSeveri96 / MANULS
A program for the electrostatic catalysis of chemical rections. MANULS finds the smallest electric field that removes the reaction barrier.
JSON API: http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MSeveri96%2FMANULS
PURL: pkg:github/MSeveri96/MANULS
Stars: 8
Forks: 1
Open issues: 0
License: lgpl-2.1
Language: Python
Size: 47.5 MB
Dependencies parsed at: Pending
Created at: over 2 years ago
Updated at: 7 months ago
Pushed at: 7 months ago
Last synced at: 4 months ago
Topics: catalysis, chemistry, computational-chemistry, electric-field, optimal-control, optimization, quantum-chemistry