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Sato, Kazuma, Takayanagi, Toshiyuki (2014) Construction of global ab initio potential energy surfaces for the HNS system and quantum dynamics calculations for the S(3P)+NH(X3Σ)→NS(X2Π)+H(2S) and N(4S)+SH(X2Π)→NS(X2Π)+H(2S) reactions. Chemical Physics, 439. 63-70 doi:10.1016/j.chemphys.2014.05.009

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Reference TypeJournal (article/letter/editorial)
TitleConstruction of global ab initio potential energy surfaces for the HNS system and quantum dynamics calculations for the S(3P)+NH(X3Σ)→NS(X2Π)+H(2S) and N(4S)+SH(X2Π)→NS(X2Π)+H(2S) reactions
JournalChemical Physics
AuthorsSato, KazumaAuthor
Takayanagi, ToshiyukiAuthor
Year2014 (August)Volume439
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2014.05.009Search in ResearchGate
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Mindat Ref. ID5963726Long-form Identifiermindat:1:5:5963726:8
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Full ReferenceSato, Kazuma, Takayanagi, Toshiyuki (2014) Construction of global ab initio potential energy surfaces for the HNS system and quantum dynamics calculations for the S(3P)+NH(X3Σ)→NS(X2Π)+H(2S) and N(4S)+SH(X2Π)→NS(X2Π)+H(2S) reactions. Chemical Physics, 439. 63-70 doi:10.1016/j.chemphys.2014.05.009
Plain TextSato, Kazuma, Takayanagi, Toshiyuki (2014) Construction of global ab initio potential energy surfaces for the HNS system and quantum dynamics calculations for the S(3P)+NH(X3Σ)→NS(X2Π)+H(2S) and N(4S)+SH(X2Π)→NS(X2Π)+H(2S) reactions. Chemical Physics, 439. 63-70 doi:10.1016/j.chemphys.2014.05.009
In(n.d.) Chemical Physics Vol. 439. Elsevier BV

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Sato, Kazuma, Takayanagi, Toshiyuki (2015) Quantum reactive scattering study of the S(3P)+NH(X3Σ)→NS(X2Π)+H(2S)/SH(X2Π)+N(4S) reaction on the lowest three (1A′, 1A″, and 3A″) potential energy surfaces: Contribution of HNS/HSN isomerization and spin-forbidden process. Chemical Physics, 450. 74-82 doi:10.1016/j.chemphys.2015.02.011
Zhai, Hong-Sheng, Han, Ke-Li (2011) New ab initio potential energy surface and quantum dynamics of the reaction H(2S) + NH(X3Σ−) → N(4S) + H2. The Journal of Chemical Physics, 135 (10). 104314pp. doi:10.1063/1.3636113
Zanchet, Alexandre, Bussery-Honvault, Béatrice, Jorfi, Mohamed, Honvault, Pascal (2009) Study of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A″ and 14A″ excited states and non adiabatic couplings. Physical Chemistry Chemical Physics, 11 (29). 6182pp. doi:10.1039/b903829a
Li, Jun, Guo, Hua (2013) A new ab initio based global HOOH(13A″) potential energy surface for the O(3P) + H2O(X1A1) ↔ OH(X2Π) + OH(X2Π) reaction. The Journal of Chemical Physics, 138 (19). 194304pp. doi:10.1063/1.4804418
Zanchet, Alexandre, Bussery-Honvault, Beatrice, Honvault, Pascal (2006) Study of the C(3P) + OH(X2Π) → CO(X1Σg+) + H(2S) Reaction:  A Fully Global ab Initio Potential Energy Surface of the X2A‘ State. The Journal of Physical Chemistry A, 110 (43). 12017-12025 doi:10.1021/jp064352p
Lin, Shi Ying, Guo, Hua, Honvault, Pascal (2008) Quantum dynamics of C(3P)+OH(X2Π)→H(2S)+CO(X1Σ+) reaction. Chemical Physics Letters, 453. 140-144 doi:10.1016/j.cplett.2008.01.030
Takayanagi, Toshiyuki (2007) Theoretical study of the H+Br2 and Mu+Br2 reactions: A new ab initio potential energy surface and quantum dynamics calculations. Chemical Physics, 334. 109-116 doi:10.1016/j.chemphys.2007.02.017
Takahashi, Kenta, Takayanagi, Toshiyuki (2007) Production of HNC from the CH(X2Π)+NH(X3Σ−) reaction: Direct dynamics study. Journal of Molecular Structure: THEOCHEM, 817. 153-160 doi:10.1016/j.theochem.2007.04.032
Ben Abdallah, D., Najar, F., Jaidane, N., Ben Lakhdar, Z., Honvault, P. (2008) Ab initio potential energy surfaces for the study of rotationally inelastic CH(X2Π)+H
 
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