Ab initioMRCI+Q study on the low-lying excited states of the PBr radical including spin–orbit coupling†-Reference-Cited by-同舟云学术

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Ab initioMRCI+Q study on the low-lying excited states of the PBr radical including spin–orbit coupling†

Published:2015-03-13 Issue:21 Volume:113 Page:3312-3324
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Zhang Xiaomei,Liu Xiaoting,Liang Guiying,Shi Dandan,Li Rui,Liu Xueshen,Xu Haifeng,Yan Bing

Funder

National Natural Science Foundation of China

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/00268976.2015.1020900

Reference33 articles.

1. Excitation of O2(a1Δg, b1Σg+) and I(2P12) by energy transfer from I2(A, A′3Π1,2u) in solid rare gases

2. Electronic mechanisms of activation of molecular oxygen

3. Quenching rate constants for NCl(b1Σ+) and PCl(b1Σ+) and radiative lifetimes of NCl(b1Σ+), PCl(b1Σ+) and PBr(b1Σ+)

4. Quenching of PF(b1.SIGMA.+) by F2, Cl2, Br2, NO2, and N2O. The Energy-Pooling Reaction with NF(b1.SIGMA.+) and the Thermochemistry of PF, PCl, and PBr

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1. Theoretical MRCI + Q study on electronic structure and spectroscopic properties of the HX⁺(X = F, Cl, Br, I) cations;Canadian Journal of Physics;2024-09-01

2. Phosphinidenes: Fundamental Properties and Reactivity;Chemistry – A European Journal;2024-01-11

3. Ab initio calculations on the ground and excited electronic states of AsI molecule including spin-orbit coupling;Computational and Theoretical Chemistry;2021-03

4. High-level relativistic MRCI+Q calculations on excited states of the SbI molecule;Journal of Quantitative Spectroscopy and Radiative Transfer;2021-02

5. Spectroscopic constants and spin-orbit coupling in the low-lying electronic states of AsBr;Journal of Quantitative Spectroscopy and Radiative Transfer;2020-08

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