Insight into spin–orbital interaction using MCSCF method: A special analysis of the 1 Σ g + electronic state in C 2 and the linear polyacetylenic C 4 and C 6-Reference-Cited by-同舟云学术

Insight into spin–orbital interaction using MCSCF method: A special analysis of the 1 Σ g + electronic state in C 2 and the linear polyacetylenic C 4 and C 6

Published:2019-03-07 Issue:13 Volume:40 Page:1338-1343
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Zhu Changyan¹,Zhang Xingxing¹,Zhang Min¹^ORCID,Geng Yun¹^ORCID,Liu Xingman¹,Su Zhongmin¹²

Affiliation:

1. Faculty of Chemistry & National & Local United Engineering Laboratory for Power BatteryNortheast Normal University Changchun 130024 People's Republic of China

2. School of Chemistry & Environmental EngineeringChangchun University of Science and Technology Changchun 130022 People's Republic of China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25814

Reference49 articles.

1. Note on Electronic States of Diatomic Carbon, and the Carbon-Carbon Bond

2. Chemistry of the singlet and triplet C2 molecules. Mechanism of acetylene formation from reaction with acetone and acetaldehyde

3. Reaction of diatomic carbon with alkanes and ethers. Trapping of alkylcarbenes by vinylidene

4. Carbon molecules, ions, and clusters

5. C2 spectroscopy and kinetics

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