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Tang, Yi-Zhen, Pan, Ya-Ru, Sun, Jing-Yu, Sun, Hao, Wang, Rong-Shun (2008) Ab initio/DFT theory and multichannel RRKM study on the mechanisms and kinetics for the CH3S+CO reaction. Chemical Physics, 344. 221-226 doi:10.1016/j.chemphys.2008.01.017

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Reference TypeJournal (article/letter/editorial)
TitleAb initio/DFT theory and multichannel RRKM study on the mechanisms and kinetics for the CH3S+CO reaction
JournalChemical Physics
AuthorsTang, Yi-ZhenAuthor
Pan, Ya-RuAuthor
Sun, Jing-YuAuthor
Sun, HaoAuthor
Wang, Rong-ShunAuthor
Year2008 (March)Volume344
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.01.017Search in ResearchGate
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Mindat Ref. ID5961449Long-form Identifiermindat:1:5:5961449:8
GUID0
Full ReferenceTang, Yi-Zhen, Pan, Ya-Ru, Sun, Jing-Yu, Sun, Hao, Wang, Rong-Shun (2008) Ab initio/DFT theory and multichannel RRKM study on the mechanisms and kinetics for the CH3S+CO reaction. Chemical Physics, 344. 221-226 doi:10.1016/j.chemphys.2008.01.017
Plain TextTang, Yi-Zhen, Pan, Ya-Ru, Sun, Jing-Yu, Sun, Hao, Wang, Rong-Shun (2008) Ab initio/DFT theory and multichannel RRKM study on the mechanisms and kinetics for the CH3S+CO reaction. Chemical Physics, 344. 221-226 doi:10.1016/j.chemphys.2008.01.017
In(n.d.) Chemical Physics Vol. 344. Elsevier BV

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Pan, Ya-Ru, Tang, Yi-Zhen, Sun, Jing-Yu, Sun, Hao, Wang, Rong-Shun (2008) Theoretical study of mechanisms for NCO with CH3 reaction. Molecular Physics, 106. 921-927 doi:10.1080/00268970802017492
Tang, Yi-Zhen, Pan, Ya-Ru, Sun, Jing-Yu, Sun, Hao, Wang, Rong-Shun (2008) Theoretical studies on the mechanism and dynamics of the H-abstraction for NCO with C3H8 reaction. Chemical Physics, 348. 195-198 doi:10.1016/j.chemphys.2008.02.049
Pan, Ya-Ru, Tang, Yi-Zhen, Sun, Jing-Yu, Sun, Hao, Wang, Rong-Shun (2008) Directab initiodynamics calculations of the reaction rate for the hydrogen abstraction reaction of NCO with CH4and C2H6. Molecular Physics, 106. 2255-2261 doi:10.1080/00268970802409558
Pan, Xiu-Mei, Jia, Xiu-Juan, Liu, Ying, Li, Sha, Sun, Hao, Tang, Yi-Zhen, Su, Zhong-Min, Wang, Rong-Shun (2008) Theoretical study on the mechanism for the reaction of pentafulvenone with HNC in singlet and triplet states, interconversions and solvation effect. Molecular Physics, 106. 1767-1776 doi:10.1080/00268970802290305
Pan, Yaru, Wang, Rongshun (2010) The DFT and ab initio investigations on the mechanism of CF3O2+H reaction. Chemical Physics, 367. 48-51 doi:10.1016/j.chemphys.2009.10.021
Wang, Baoshan, Hou, Hua, Gu, Yueshu (1999) Ab Initio/Density Functional Theory and Multichannel RRKM Calculations for the CH3O + CO Reaction. The Journal of Physical Chemistry A, 103 (40). 8021-8029 doi:10.1021/jp991203g
Tang, Yizhen, Sun, Hao, Pan, Yaru, Wang, Rongshun (2007) DFT Study on the Mechanisms of C4H2+ CN Reaction. Chemistry Letters, 36 (5). 644-645 doi:10.1246/cl.2007.644
Pan, Yaru, Tang, Yizhen, Wang, Rongshun (2011) DFT and ab initio theoretical study for the CF3S+CO reaction. Journal of Fluorine Chemistry, 132 (1). 15-18 doi:10.1016/j.jfluchem.2010.10.005
Sun, Jingyu, Tang, Yizhen, Sun, Hao, Pan, Yaru, Jia, Xiujuan, Pan, Xiumei, Wang, Rongshun (2008) Mechanistic and kinetic study of the OH+C2H5CN reaction. Chemical Physics Letters, 463. 315-321 doi:10.1016/j.cplett.2008.08.055
Pan, Yaru, Tang, Yizhen, Wang, Rongshun (2011) A DFT and ab initio study on the mechanisms of atmospheric CH2NH+O(3P) reaction. Computational and Theoretical Chemistry, 965 (2). 298-304 doi:10.1016/j.comptc.2010.12.030
Tang, Yizhen, Sun, Hao, Sun, Jingyu, Pan, Yaru, Li, Zesheng, Wang, Rongshun (2007) Theoretical study of H-abstraction reaction of C2H5OH with NCO. Chemical Physics, 337. 119-124 doi:10.1016/j.chemphys.2007.07.003
 
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