Accurate singlet–triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation
Author:
Affiliation:
1. The Department of Chemistry, The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, USA
Funder
National Science Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/am-pdf/10.1063/5.0045007
Reference87 articles.
1. Singlet Diradicals: from Transition States to Crystalline Compounds
2. Biradical Intermediate in the [2 + 2] Photocycloaddition of Dienes and Alkenes to [60]Fullerene
3. The cyclization of calichemicin-esperamicin analogs: a predictive biradicaloid transition state
4. Biradical mechanism in small ring compound reactions
5. Singlet biradicals as intermediates. Canonical variational transition-state theory results for trimethylene
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