Spin-inversion mechanisms in the reactions of transition metal cations (Sc+ , Ti+ , V+ , Cr+ , Mn+ , Fe+ , Co+ , Ni+ , and Cu+ ) with OCS in the gas phase: A perspective from automated reaction path search calculations-Reference-Cited by-同舟云学术

Spin-inversion mechanisms in the reactions of transition metal cations (Sc+ , Ti+ , V+ , Cr+ , Mn+ , Fe+ , Co+ , Ni+ , and Cu+ ) with OCS in the gas phase: A perspective from automated reaction path search calculations

Published:2019-01-29 Issue:11 Volume:119 Page:e25908
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Nakatomi Taiki¹,Koido Shoichi¹,Watabe Yuya¹,Takayanagi Toshiyuki¹^ORCID

Affiliation:

1. Department of Chemistry; Saitama University; Saitama Japan

Funder

Grant-in-Aid for Scientific Research of the Ministry of Education, Culture, Sports, Science, and Technology of Japan

Scientific Research of the Ministry of Education

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25908/fullpdf

Reference68 articles.

1. Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges

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

3. Understanding the kinetics of spin-forbidden chemical reactions

4. Spin-forbidden reactions: computational insight into mechanisms and kinetics

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

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