2024
DOI: 10.26434/chemrxiv-2024-0523m
|View full text |Cite
Preprint
|
Sign up to set email alerts
|

Reaction Networks Resemble Low-Dimensional Regular Lattices

Miko Stulajter,
Dmitrij Rappoport

Abstract: The computational exploration, manipulation, and design of complex chemical reactions face fundamental challenges related to the high-dimensional nature of potential energy surfaces (PESs) that govern reactivity. Accurately modeling complex reactions is crucial for understanding the chemical processes involved in, for example, organocatalysis, autocatalytic cycles, and one-pot molecular assembly. Our prior research demonstrated that discretizing PESs using heuristics based on bond breaking and bond formation p… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Year Published

2024
2024
2024
2024

Publication Types

Select...
1

Relationship

0
1

Authors

Journals

citations
Cited by 1 publication
references
References 83 publications
(136 reference statements)
0
0
0
Order By: Relevance