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Teng, Wen-Shuang, Moskaleva, Lyudmila V., Chen, Hui-Lung, Lin, M. C. (2013) Ab Initio Chemical Kinetics for H + NCN: Prediction of NCN Heat of Formation and Reaction Product Branching via Doublet and Quartet Surfaces. The Journal of Physical Chemistry A, 117 (28). 5775-5784 doi:10.1021/jp402903t

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Reference TypeJournal (article/letter/editorial)
TitleAb Initio Chemical Kinetics for H + NCN: Prediction of NCN Heat of Formation and Reaction Product Branching via Doublet and Quartet Surfaces
JournalThe Journal of Physical Chemistry A
AuthorsTeng, Wen-ShuangAuthor
Moskaleva, Lyudmila V.Author
Chen, Hui-LungAuthor
Lin, M. C.Author
Year2013 (July 18)Volume117
Issue28
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp402903tSearch in ResearchGate
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Mindat Ref. ID3962007Long-form Identifiermindat:1:5:3962007:5
GUID0
Full ReferenceTeng, Wen-Shuang, Moskaleva, Lyudmila V., Chen, Hui-Lung, Lin, M. C. (2013) Ab Initio Chemical Kinetics for H + NCN: Prediction of NCN Heat of Formation and Reaction Product Branching via Doublet and Quartet Surfaces. The Journal of Physical Chemistry A, 117 (28). 5775-5784 doi:10.1021/jp402903t
Plain TextTeng, Wen-Shuang, Moskaleva, Lyudmila V., Chen, Hui-Lung, Lin, M. C. (2013) Ab Initio Chemical Kinetics for H + NCN: Prediction of NCN Heat of Formation and Reaction Product Branching via Doublet and Quartet Surfaces. The Journal of Physical Chemistry A, 117 (28). 5775-5784 doi:10.1021/jp402903t
In(2013, July) The Journal of Physical Chemistry A Vol. 117 (28) American Chemical Society (ACS)

See Also

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Zhu, R. S., Lin, M. C. (2007) Ab Initio Study on the Oxidation of NCN by O (3P):  Prediction of the Total Rate Constant and Product Branching Ratios†. The Journal of Physical Chemistry A, 111 (29). 6766-6771 doi:10.1021/jp068991b
Moskaleva, L. V., Lin, M. C. (2001) Computational Study on the Energetics of NCN Isomers and the Kinetics of the C + N2⇄ N + CN Reaction. The Journal of Physical Chemistry A, 105 (16). 4156-4163 doi:10.1021/jp0044328
Tokmakov, I. V., Moskaleva, L. V., Paschenko, D. V., Lin, M. C. (2003) Computational Study of the HCCO + NO Reaction:  ab Initio MO/vRRKM Calculations of the Total Rate Constant and Product Branching Ratios. The Journal of Physical Chemistry A, 107 (7). 1066-1076 doi:10.1021/jp022024t
Raghunath, P., Lin, M. C. (2012) Ab initio chemical kinetics for the ClOO + NO reaction: Effects of temperature and pressure on product branching formation. The Journal of Chemical Physics, 137 (1). 14315pp. doi:10.1063/1.4731883
Zhu, R. S., Nguyen, Hue M. T., Lin, M. C. (2009) Ab Initio Study on the Oxidation of NCN by OH: Prediction of the Individual and Total Rate Constants. The Journal of Physical Chemistry A, 113 (1). 298-304 doi:10.1021/jp805821x
Xu, Z. F., Zhu, R. S., Lin, M. C. (2003) Ab Initio Studies of ClOxReactions:  VI. Theoretical Prediction of Total Rate Constant and Product Branching Probabilities for the HO2+ ClO Reaction. The Journal of Physical Chemistry A, 107 (19). 3841-3850 doi:10.1021/jp0221237
Zhu, Rongshun, Lin, M. C. (2000) The NCO + NO Reaction Revisited:  Ab Initio MO/VRRKM Calculations for Total Rate Constant and Product Branching Ratios. The Journal of Physical Chemistry A, 104 (46). 10807-10811 doi:10.1021/jp002637a
Zhu, R. S., Lin, M. C. (2007) Ab Initio Study of the ClO + NH2Reaction:  Prediction of the Total Rate Constant and Product Branching Ratios†. The Journal of Physical Chemistry A, 111 (19). 3977-3983 doi:10.1021/jp067178d
Raghunath, P., Lin, M. C. (2013) Ab Initio Chemical Kinetics for SiH2 + Si2H6 and SiH3 + Si2H5 Reactions and the Related Unimolecular Decomposition of Si3H8 under a-Si/H CVD Conditions. The Journal of Physical Chemistry A, 117 (42). 10811-10823 doi:10.1021/jp407553a
Tzeng, Shiang-Yang, Chen, Po-Hsueh, Wang, Niann S., Lee, L. C., Xu, Z. F., Lin, M. C. (2009) Kinetics and Mechanism of the CN + NCO → NCN + CO Reaction Studied by Experiment and Theory. The Journal of Physical Chemistry A, 113 (22). 6314-6325 doi:10.1021/jp901903n
Zhu, R. S., Lin, M. C. (2003) Ab initio study of the HO2+NO reaction: Prediction of the total rate constant and product branching ratios for the forward and reverse processes. The Journal of Chemical Physics, 119 (20). 10667-10677 doi:10.1063/1.1619373
 
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