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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 116, 2018 - Issue 1
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Research Articles

A global potential energy surface for H2S+(X 4A′′) and quasi-classical trajectory study of the S+(4S) + H2(X1Σ+g) reaction

Y. Z. SongSchool of Physics and Electronics, Shandong Normal University, Jinan, ChinaView further author information
,
Y. ZhangSchool of Physics and Electronics, Shandong Normal University, Jinan, ChinaView further author information
,
S. B. GaoSchool of Physics and Electronics, Shandong Normal University, Jinan, ChinaView further author information
,
Q. T. MengSchool of Physics and Electronics, Shandong Normal University, Jinan, ChinaView further author information
,
C. K. WangSchool of Physics and Electronics, Shandong Normal University, Jinan, ChinaView further author information
&
M. Y. BallesterDepartamento de Física, Universidade Federal de Juiz de Fora-UFJF, Juiz de Fora, BrazilCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-5475-8808View further author information
ORCID Icon
Pages 129-141 | Received 22 May 2017, Accepted 14 Aug 2017, Published online: 01 Sep 2017

Citations (18)

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Wentao Li & Yong Zhang. (2024) The dynamic studies of the C+ + HD reaction using the time-dependent wave packet method. Molecular Physics 122:6.
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S. J. Chai, H. Y. Ma, Y. L. Lü, J. Y. Liu & Y. Q. Li. (2020) Accurate global adiabatic potential energy surface for the ground state of AlH2+ by extrapolation to the complete basis set limit. Molecular Physics 118:7.
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Articles from other publishers (16)

Yunquan Sun, Wentao Li & Meiling Yuan. (2023) Dynamical studies for the S+ + D2(v0 = 2, j0 = 0) → SD+ + D reaction by time-dependent wave packet. Chemical Physics Letters 833, pages 140931.
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Zhiwen Luan, Yanlin Fu, Yuxin Tan, Yaling Wang, Anwen Liu, Tao Wang, Xiaoguo Zhou, Bina Fu, Dong H. Zhang, Daofu Yuan, Xingan Wang & Xueming Yang. (2023) Photodissociation dynamics of H2S+ near 325 nm. Chinese Journal of Chemical Physics 36:3, pages 289-297.
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Lulu Zhang, Juan Zhao, Dong Liu, Wei Wang, Daguang Yue, Yuzhi Song & Qingtian Meng. (2022) A new global analytical ab initio potential energy surface for the dynamics of the C + ( 2 P) + SH(X 2 Π) reaction . Physical Chemistry Chemical Physics 24:2, pages 1007-1015.
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Jing Bai, Fangyuan Yuan & Yong Zhang. (2022) Quantum state-resolved dynamical study for the S+ + HD(v0 = 2, j0 = 0) → SD+/SH+ + H/D reaction. The European Physical Journal D 76:1.
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Wentao Li, Yongping Liang & Wei Xing. (2021) Quantum calculations for the abstraction and exchange channels of the H + SH+(v0 = 0, j0 = 0) reaction. Chemical Physics 550, pages 111306.
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Ziliang Zhu, Aijie Zhang, Di He & Wentao Li. (2021) A new global potential energy surface of the SH 2 + (X 4 A′′) system and quantum calculations for the S + + H 2 ( v = 0–3, j = 0) reaction . Physical Chemistry Chemical Physics 23:8, pages 4757-4767.
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WenYi Zhang, QingTian Meng, ShouBao Gao & YuZhi Song. (2021) Theoretical insight into the vibrational excitation effect of the S+(4S) + H2(X1∑+g) reaction. Chemical Physics Letters 764, pages 138257.
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Lulu Zhang, Dong Liu, Yuzhi Song, Feng Gao & Qingtian Meng. (2020) Examining the isotope effect on CH decay and H exchange reactions: H( 2 S) + CH(D/T)( 2 Π) . Physica Scripta 96:1, pages 015404.
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Da-Guang Yue, Juan Zhao, Lu-Lu Zhang, Yu-Zhi Song & Qing-Tian Meng. (2020) State-to-state dynamics of S+(2D) + H2(X1Σg+)(v, j) collision reaction based on the H2S+ (X 2A′′)potential energy surface. Computational and Theoretical Chemistry 1191, pages 113021.
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Delvany G de Castro, Maikel Y Ballester & Yu-Zhi Song. (2020) A global potential energy surface for the ground electronic state of SSiH. Journal of Physics B: Atomic, Molecular and Optical Physics 53:17, pages 175203.
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Jin-Yu Zhang, Ting Xu, Zhi-Wei Ge, Juan Zhao, Shou-Bao Gao & Qing-Tian Meng. (2020) Mechanism analysis of reaction S+(2D)+H2(X1Σg+)→SH+(X3Σ−)+H(2S) based on the quantum state-to-state dynamics*. Chinese Physics B 29:6, pages 063101.
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Lulu Zhang, Dong Liu, Daguang Yue, Yuzhi Song & Qingtian Meng. (2020) Dynamics of H( 2 S ) + CH( X 2 Π) reactions based on a new CH 2 (${\tilde{X}}^{3}A^{\prime\prime} $) surface via extrapolation to the complete basis set limit . Journal of Physics B: Atomic, Molecular and Optical Physics 53:9, pages 095202.
Crossref
Ramon S. da Silva & Maikel Y. Ballester. (2019) Potential energy curves, turning points, Franck–Condon factors and $r$-centroids for the astrophysically interesting $\mbox{S}_{2}$ molecule. Astrophysics and Space Science 364:10.
Crossref
Alexandre Zanchet, François Lique, Octavio Roncero, Javier R. Goicoechea & Niyazi Bulut. (2019) Formation of interstellar SH + from vibrationally excited H 2 : Quantum study of S + + H 2 ⇄ SH + + H reaction and inelastic collision . Astronomy & Astrophysics 626, pages A103.
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L. Bonnet & J. Espinosa-Garcia. (2018) Simulation of experimental imaging results for four isotopic variants of the OH + CH4 reaction with a simple and relatively accurate theoretical approach. Chemical Physics Letters 711, pages 184-188.
Crossref
Lulu Zhang, Shoubao Gao, Qingtian Meng, Jie Pan & Yuzhi Song. (2018) Accurate potential energy surface of H2S+( X 2 A ″) via extrapolation to the complete basis set limit and its use in dynamics study of S+(D2)+H2(X1Σg+) reaction . The Journal of Chemical Physics 149:15.
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