Hyper Open-Shell Excited Spin States of Transition-Metal Compounds: FeF2, FeF2···Ethane, and FeF2···Ethylene-Reference-Cited by-同舟云学术

Hyper Open-Shell Excited Spin States of Transition-Metal Compounds: FeF2, FeF2···Ethane, and FeF2···Ethylene

Published:2018-02-08 Issue:9 Volume:122 Page:2563-2579
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Verma Pragya¹²^ORCID,Varga Zoltan¹^ORCID,Truhlar Donald G.¹²^ORCID

Affiliation:

1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55455-0431, United States

2. Nanoporous Materials Genome Center, University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55455-0431, United States

Funder

Basic Energy Sciences

University of Minnesota

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b12652

Reference131 articles.

1. Two-State Reactivity in Organometallic Gas-Phase Ion Chemistry

2. Two-State Reactivity as a New Concept in Organometallic Chemistry

3. Multi-State Epoxidation of Ethene by Cytochrome P450: A Quantum Chemical Study

4. Understanding the reactivity of transition metal complexes involving multiple spin states

5. Reactivity patterns of cytochrome P450 enzymes: multifunctionality of the active species, and the two states–two oxidants conundrum

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