Multiconfiguration Self-Consistent Field Study on Formonitrile Imine and N-Substituted Nitrile Imines HCN2–R: Energy Component Analysis of the Pseudo-Jahn

Multiconfiguration Self-Consistent Field Study on Formonitrile Imine and N-Substituted Nitrile Imines HCN2–R: Energy Component Analysis of the Pseudo-Jahn–Teller Effect

Published:2017-03-14 Issue:11 Volume:121 Page:2298-2310
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Toyota Azumao¹,Muramatsu Takashi¹,Koseki Shiro²³^ORCID

Affiliation:

1. Environmental Education Center, Miyagi University of Education, Sendai 980-0845, Japan

2. Department of Chemistry, Graduate School of Science, Osaka Prefecture University, 1-1 Gakuen-cho, Sakai, Osaka 599-8531, Japan

3. The Research Institute for Molecular Electronic Devices (RIMED), Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai 599-8531, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b01718

Reference72 articles.

1. Ab initio MCSCF study on several azide molecules: energy component analysis of the pseudo-Jahn–Teller effect

2. Covalent Inorganic Azides

3. Recent Developments in the Chemistry of Covalent Azides

4. Organic Azides: An Exploding Diversity of a Unique Class of Compounds

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