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Barrier Heights for Diels–Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large Molecules.

Authors :
Kermani, Maryam Mansoori
Li, Hanwei
Ottochian, Alistar
Crescenzi, Orlando
Janesko, Benjamin G.
Scalmani, Giovanni
Frisch, Michael J.
Ciofini, Ilaria
Adamo, Carlo
Truhlar, Donald G.
Source :
Journal of Physical Chemistry Letters; 7/27/2023, Vol. 14 Issue 29, p6522-6531, 10p
Publication Year :
2023

Details

Language :
English
ISSN :
19487185
Volume :
14
Issue :
29
Database :
Supplemental Index
Journal :
Journal of Physical Chemistry Letters
Publication Type :
Academic Journal
Accession number :
168583547
Full Text :
https://doi.org/10.1021/acs.jpclett.3c01309