The MOBH35 Metal–Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation Regimes-Reference-Cited by-同舟云学术

The MOBH35 Metal–Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation Regimes

Published:2022-01-19 Issue:2 Volume:18 Page:883-898
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Semidalas Emmanouil¹^ORCID,Martin Jan M.L.¹^ORCID

Affiliation:

1. Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Reḥovot 7610001, Israel

Funder

Israel Science Foundation

Minerva Foundation

Alexander S. Onassis Public Benefit Foundation

Helen and Martin Kimmel Center for Molecular Design

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01126

Reference113 articles.

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