Transition states of spin-forbidden reactions-Reference-Cited by-同舟云学术

Transition states of spin-forbidden reactions

Published:2018 Issue:6 Volume:20 Page:4129-4136
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yang Bo¹²³⁴⁵^ORCID,Gagliardi Laura¹²³⁴⁵^ORCID,Truhlar Donald G.¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry

2. University of Minnesota

3. Minneapolis

4. USA

5. Chemical Theory Center and Minnesota Supercomputing Institute

Abstract

New approximation method for locating stationary points on lowest spin-coupled potential energy surface (PES) using density functional calculations.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP07227A

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5. Spin crossover phenomena in Fe(ii) complexes

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