Computer-assisted synthetic planning considering reaction kinetics based on transition state automated generation method
Release Time:2024-07-02 Hits:
Indexed by: Journal Papers
Document Code: 363484
Date of Publication: 2023-07-18
Journal: AICHE JOURNAL
Volume: 69
Issue: 7
ISSN: 0001-1541
Key Words: CHEMISTRY; COMPLEX; DYNAMICS; EXPLORATION; GROWING STRING METHOD; MODELS; NUDGED ELASTIC BAND; PREDICTION; SEARCH