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Journal Articles

Rovibronic spectrum of PbS in 19520–22900 cm−1

Yini Chen, Ben Chen, Jinping Yin, Hailing Wang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 36, 35–40 (2023)
https://doi.org/10.1063/1674-0068/cjcp2201008
Published: February 2023
View article titled, Rovibronic spectrum of PbS in 19520–22900 cm<sup>−1</sup>
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Journal Articles

Adiabatic potential energy surfaces and photodissociation mechanisms for highly excited states of H2O

Editor’s Pick
Feng An, Shanyu Han, Xixi Hu, Kaijun Yuan, Daiqian Xie
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 35, 104–116 (2022)
https://doi.org/10.1063/1674-0068/cjcp2111241
Published: February 2022
View article titled, Adiabatic potential energy surfaces and photodissociation mechanisms for highly excited states of H<sub>2</sub>O
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Journal Articles

Theoretical calculation on isotope shifts of N(I)

Yan Zhang, Qing-ning Lin, Tao Yang, Jian-ping Yin, Hai-ling Wang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 33, 686–690 (2020)
https://doi.org/10.1063/1674-0068/cjcp2003035
Published: December 2020
View article titled, Theoretical calculation on isotope shifts of N(I)
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Journal Articles

Ro-vibrational spectra of the simplest deuterated criegee intermediate CD2OO

Jun Li
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 33, 65–68 (2020)
https://doi.org/10.1063/1674-0068/cjcp1911195
Published: February 2020
View article titled, Ro-vibrational spectra of the simplest deuterated criegee intermediate CD<sub>2</sub>OO
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Journal Articles

Iterative multireference configuration interaction

Wen-yan Zhang, Fei-wu Chen
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 32, 701–707 (2019)
https://doi.org/10.1063/1674-0068/cjcp1905094
Published: December 2019
View article titled, Iterative multireference configuration interaction
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Journal Articles

Accurate Theoretical Study of LiS Radical and Its Singly Charged Cation and Anion in their Ground Electronic State

En Cao, Shuang Liu, Yu-zhi Song
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 30, 128–134 (2017)
https://doi.org/10.1063/1674-0068/30/cjcp1611219
Published: April 2017
View article titled, Accurate Theoretical Study of LiS Radical and Its Singly Charged Cation and Anion in their Ground Electronic State
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Journal Articles

Vibrational Spectra and Quantum Calculations of Ethylbenzene

Jian Wang, Xue-jun Qiu, Yan-mei Wang, Song Zhang, Bing Zhang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 25, 526–532 (2012)
https://doi.org/10.1088/1674-0068/25/05/526-532
Published: October 2012
View article titled, Vibrational Spectra and Quantum Calculations of Ethylbenzene
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Journal Articles

Spectroscopic Parameters of X3Σ−, a1Δ, and A′3Δ Electronic States of SO Radical

Jie-min Wang, Heng-qiang Feng, Jin-feng Sun, De-heng Shi, Zun-lue Zhu
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 25, 533–539 (2012)
https://doi.org/10.1088/1674-0068/25/05/533-539
Published: October 2012
View article titled, Spectroscopic Parameters of <em>X</em><sup>3</sup>Σ<sup>−</sup>, <em>a</em><sup>1</sup>Δ, and <em>A</em>′<sup>3</sup>Δ Electronic States of SO Radical
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Journal Articles

Time-dependent Wave Packet Quantum Scattering Study of Reaction S(3P)+H2→HS+H on a New ab initio Potential Energy Surface 3A′

Shuang-jiang Lv, Pei-yu Zhang, Guo-zhong He
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 25, 291–296 (2012)
https://doi.org/10.1088/1674-0068/25/03/291-296
Published: June 2012
View article titled, Time-dependent Wave Packet Quantum Scattering Study of Reaction S(<sup>3</sup>P)+H<sub>2</sub>→HS+H on a New <em>ab initio</em> Potential Energy Surface <sup>3</sup>A′
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Journal Articles

Isotopic Effects on Stereodynamics for Ca+HCl, Ca+DCl, and Ca+TCl Reactions

Li-zhi Wang, Chuan-lu Yang, Jing-juan Liang, Jing Xiao, Qing-gang Zhang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 24, 686–690 (2011)
https://doi.org/10.1088/1674-0068/24/06/686-690
Published: December 2011
View article titled, Isotopic Effects on Stereodynamics for Ca+HCl, Ca+DCl, and Ca+TCl Reactions
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Journal Articles

New ab initio Potential Energy Surfaces for Cl(2P3/2, 2P1/2)+H2 Reaction

Bin Jiang, Dai-qian Xie
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 22, 601–604 (2009)
https://doi.org/10.1088/1674-0068/22/06/601-604
Published: December 2009
View article titled, New <em>ab initio</em> Potential Energy Surfaces for Cl(<sup>2</sup>P<sub>3/2</sub>, <sup>2</sup>P<sub>1/2</sub>)+H<sub>2</sub> Reaction
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Journal Articles

Electronic Absorption Spectroscopy of H2X (X = O, Te, Po): Theoretical Treatment of Spin-Orbit Effects

Cherif A. A. Ndoye, Chantal Daniel
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 22, 171–177 (2009)
https://doi.org/10.1088/1674-0068/22/02/171-177
Published: April 2009
View article titled, Electronic Absorption Spectroscopy of H<sub>2</sub>X (X = O, Te, Po): Theoretical Treatment of Spin-Orbit Effects
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Journal Articles

A Global ab initio Potential Energy Surface for F+H2HF+H

Chuan-xiu Xu, Dai-qian Xie, Dong-hui Zhang
Journal: Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 19, 96–98 (2006)
https://doi.org/10.1360/cjcp2006.19(2).96.3
Published: August 2006
View article titled, A Global <em>ab initio</em> Potential Energy Surface for F+H<sub>2</sub>HF+H
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