Ming-Chang Lin

2007

The mechanisms of the reactions of W and W ⁺ with CO _x (x = 1, 2): A computational study

Musaev, D. G., Irle, S. & Lin, M-C., 26 7月 2007, 於: Journal of Physical Chemistry A. 111, 29, p. 6665-6673 9 p.

研究成果: Article › 同行評審

13 引文斯高帕斯（Scopus）

Theoretical and experimental studies of the diketene system: Product branching decomposition rate constants and energetics of isomers

Bui, B., Tsay, T. J., Lin, M-C. & Melius, C. F., 1 10月 2007, 於: International Journal of Chemical Kinetics. 39, 10, p. 580-590 11 p.

研究成果: Article › 同行評審

5 引文斯高帕斯（Scopus）

2006

Ab initio kinetics for the unimolecular reaction C₆H ₅OH → CO + C₅H₆ ⁺

Xu, Z. F. & Lin, M-C., 2 2月 2006, 於: Journal of Physical Chemistry A. 110, 4, p. 1672-1677 6 p.

研究成果: Article › 同行評審

55 引文斯高帕斯（Scopus）

Ab initio study of the OH + CH ₂O reaction: The effect of the OH··OCH ₂ complex on the H-abstraction kinetics

Xu, S., Zhu, R. S. & Lin, M-C., 1 5月 2006, 於: International Journal of Chemical Kinetics. 38, 5, p. 322-326 5 p.

研究成果: Article › 同行評審

50 引文斯高帕斯（Scopus）

A computational study on the decomposition of NH₄ClO₄: Comparison of the gas-phase and condensed-phase results

Zhu, R. S. & Lin, M-C., 24 11月 2006, 於: Chemical Physics Letters. 431, 4-6, p. 272-277 6 p.

研究成果: Article › 同行評審

17 引文斯高帕斯（Scopus）

A computational study on the kinetics and mechanism for the unimolecular decomposition of o-nitrotoluene

Chen, S. C., Xu, S. C., Diau, W-G. & Lin, M-C., 24 8月 2006, 於: Journal of Physical Chemistry A. 110, 33, p. 10130-10134 5 p.

研究成果: Article › 同行評審

42 引文斯高帕斯（Scopus）

Adsorption and reactions of HN₃ on Si(1 0 0)-2 × 1: A computational study

Wang, J. H., Bacalzo-Gladden, F. & Lin, M-C., 1 3月 2006, 於: Surface Science. 600, 5, p. 1113-1124 12 p.

研究成果: Article › 同行評審

2 引文斯高帕斯（Scopus）

A mechanistic study of H₂S decomposition on Ni- and Cu-based anode surfaces in a solid oxide fuel cell

Choi, Y., Compson, C., Lin, M-C. & Liu, M., 3 4月 2006, 於: Chemical Physics Letters. 421, 1-3, p. 179-183 5 p.

研究成果: Article › 同行評審

64 引文斯高帕斯（Scopus）

Characterization of O₂-CeO₂ interactions using in situ Raman spectroscopy and first-principle calculations

Choi, Y., Abernathy, H., Chen, H. T., Lin, M-C. & Liu, M., 11 9月 2006, 於: ChemPhysChem. 7, 9, p. 1957-1963 7 p.

研究成果: Article › 同行評審

182 引文斯高帕斯（Scopus）

Experimental and theoretical investigation of rate coefficients of the reaction S(³P)+OCS in the temperature range of 298-985 K

Lu, C. W., Wu, Y. J., Lee, Y-P., Zhu, R. S. & Lin, M-C., 1 1月 2006, 於: Journal of Chemical Physics. 125, 16, 164329.

研究成果: Article › 同行評審

25 引文斯高帕斯（Scopus）

Experimental and theoretical studies of the phenyl radical reaction with propene

Park, J., Nam, G. J., Tokmakov, I. V. & Lin, M-C., 20 7月 2006, 於: Journal of Physical Chemistry A. 110, 28, p. 8729-8735 7 p.

研究成果: Article › 同行評審

34 引文斯高帕斯（Scopus）

Mechanisms of the reactions of W and W ⁺ with H ₂O: Computational studies

Musaev, D. G., Xu, S., Irle, S. & Lin, M-C., 6 4月 2006, 於: Journal of Physical Chemistry A. 110, 13, p. 4495-4501 7 p.

研究成果: Article › 同行評審

9 引文斯高帕斯（Scopus）

Oxygen reduction reactions in the SOFC cathode of Ag/CeO ₂

Wang, J. H., Liu, M. L. & Lin, M-C., 31 3月 2006, 於: Solid State Ionics. 177, 9-10, p. 939-947 9 p.

研究成果: Article › 同行評審

103 引文斯高帕斯（Scopus）

Quantum chemical prediction of reaction pathways and rate constants for dissociative adsorption of CO_x and NO_x on the graphite (0001) surface

Xu, S. C., Irle, S., Musaev, D. G. & Lin, M-C., 26 10月 2006, 於: Journal of Physical Chemistry B. 110, 42, p. 21135-21144 10 p.

研究成果: Article › 同行評審

44 引文斯高帕斯（Scopus）

Reactions of hydrazoic acid and trimethylindium on TiO ₂ rutile (110) surface: A computational study on the formation of the first monolayer InN

Wang, J. H. & Lin, M-C., 9 2月 2006, 於: Journal of Physical Chemistry B. 110, 5, p. 2263-2270 8 p.

研究成果: Article › 同行評審

12 引文斯高帕斯（Scopus）

Theoretical study on the kinetics and mechanism for the reaction of FCO with NO

Xu, K., Xu, Z. F. & Lin, M-C., 1 6月 2006, 於: Journal of Physical Chemistry A. 110, 21, p. 6718-6723 6 p.

研究成果: Article › 同行評審

2 引文斯高帕斯（Scopus）

2005

Ab initio kinetics of the reaction of HCO with NO: Abstraction versus association/elimination mechanism

Xu, Z. F., Hsu, C. H. & Lin, M-C., 15 6月 2005, 於: Journal of Chemical Physics. 122, 23, 234308.

研究成果: Article › 同行評審

21 引文斯高帕斯（Scopus）

Ab initio kinetic study on the low-energy paths of the HO + C ₂ H ₄ reaction

Zhu, R. S., Park, J. & Lin, M-C., 7 6月 2005, 於: Chemical Physics Letters. 408, 1-3, p. 25-30 6 p.

研究成果: Article › 同行評審

51 引文斯高帕斯（Scopus）

Ab initio studies of ClO_x reactions: Prediction of the rate constants of ClO + NO₂ for the forward and reverse processes

Zhu, R. S. & Lin, M-C., 12 8月 2005, 於: ChemPhysChem. 6, 8, p. 1514-1521 8 p.

研究成果: Article › 同行評審

18 引文斯高帕斯（Scopus）

Ab initio study of the oxidation of NCN by O₂

Zhu, R. S. & Lin, M-C., 1 1月 2005, 於: International Journal of Chemical Kinetics. 37, 10, p. 593-598 6 p.

研究成果: Article › 同行評審

42 引文斯高帕斯（Scopus）

Adsorption and reaction of N ₂ H ₄ on Si(1 0 0)-2 × 1: A computational study with single- and double-dimer cluster models

Wang, J. H. & Lin, M-C., 1 4月 2005, 於: Surface Science. 579, 2-3, p. 197-214 18 p.

研究成果: Article › 同行評審

7 引文斯高帕斯（Scopus）

Computational study on the kinetics and mechanism for the unimolecular decomposition of C ₆H ₅NO ₂ and the related C ₆H ₅ + NO ₂ and C ₆H ₅O + no reactions

Xu, S. & Lin, M-C., 5 5月 2005, 於: Journal of Physical Chemistry B. 109, 17, p. 8367-8373 7 p.

研究成果: Article › 同行評審

40 引文斯高帕斯（Scopus）

Computational study on the mechanism and rate constant for the C ₆H₅ + C₆H₅NO reaction

Xu, Z. F. & Lin, M-C., 13 10月 2005, 於: Journal of Physical Chemistry A. 109, 40, p. 9054-9060 7 p.

研究成果: Article › 同行評審

9 引文斯高帕斯（Scopus）

Experimental and computational studies of the phenyl radical reaction with propyne

Tokmakov, I. V., Park, J. & Lin, M-C., 1 10月 2005, 於: ChemPhysChem. 6, 10, p. 2075-2085 11 p.

研究成果: Article › 同行評審

25 引文斯高帕斯（Scopus）

Experimental and theoretical studies of rate coefficients for the reaction O(³P)+CH₃OH at high temperatures

Lu, C. W., Chou, S. L., Lee, Y-P., Xu, S., Xu, Z. F. & Lin, M-C., 1 1月 2005, 於: Journal of Chemical Physics. 122, 24, 244314.

研究成果: Article › 同行評審

12 引文斯高帕斯（Scopus）

Kinetics and mechanisms for reactions of HNO with CH₃ and C ₆H₅ studied by quantum-chemical and statistical-theory calculations

Choi, Y. & Lin, M-C., 16 3月 2005, 於: International Journal of Chemical Kinetics. 37, 5, p. 261-274 14 p.

研究成果: Article › 同行評審

23 引文斯高帕斯（Scopus）

Reaction mechanism and kinetics of the NCN+NO reaction: Comparison of theory and experiment

Huang, C. L., Tseng, S. Y., Wang, T. Y., Wang, N-S., Xu, Z. F. & Lin, M-C., 8 5月 2005, 於: Journal of Chemical Physics. 122, 18, 184321.

研究成果: Article › 同行評審

21 引文斯高帕斯（Scopus）

Reactions of hydrazoic acid on TiO ₂ nanoparticles: An experimental and computational study

Wang, J. H., Lin, M-C. & Sun, Y. C., 24 3月 2005, 於: Journal of Physical Chemistry B. 109, 11, p. 5133-5142 10 p.

研究成果: Article › 同行評審

13 引文斯高帕斯（Scopus）

Reactions of trimethylindium on TiO ₂ nanoparticles: Experimental and computational study

Wang, J. H. & Lin, M-C., 10 11月 2005, 於: Journal of Physical Chemistry B. 109, 44, p. 20858-20867 10 p.

研究成果: Article › 同行評審

14 引文斯高帕斯（Scopus）

The reaction of phenyl radical with molecular oxygen: A G2M study of the potential energy surface

Tokmakov, I. V., Kim, G. S., Kislov, V. V., Mebel, A. M. & Lin, M-C., 14 7月 2005, 於: Journal of Physical Chemistry A. 109, 27, p. 6114-6127 14 p.

研究成果: Article › 同行評審

123 引文斯高帕斯（Scopus）

Water clusters on graphite: Methodology for quantum chemical A priori prediction of reaction rate constants

Xu, S., Irle, S., Musaev, D. G. & Lin, M-C., 27 10月 2005, 於: Journal of Physical Chemistry A. 109, 42, p. 9563-9572 10 p.

研究成果: Article › 同行評審

50 引文斯高帕斯（Scopus）

2004

Ab initio studies of alkyl radical reactions: Combination and disproportionation reactions of CH ₃ with C ₂ H ₅ , and the decomposition of chemically activated C ₃ H ₈

Zhu, R. S., Xu, Z. F. & Lin, M-C., 8 4月 2004, 於: Journal of Chemical Physics. 120, 14, p. 6566-6573 8 p.

研究成果: Article › 同行評審

35 引文斯高帕斯（Scopus）

Ab initio studies of ClO_x reactions: Prediction of the rate constants of ClO + NO for the forward and reserve processes

Zhu, R. S. & Lin, M-C., 10 12月 2004, 於: ChemPhysChem. 5, 12, p. 1864-1870 7 p.

研究成果: Article › 同行評審

33 引文斯高帕斯（Scopus）

A Computational Study of the Kinetics and Mechanism for the Reaction of HCO with HNO

Xu, Z. F. & Lin, M-C., 1 1月 2004, 於: International Journal of Chemical Kinetics. 36, 4, p. 205-215 11 p.

研究成果: Article › 同行評審

15 引文斯高帕斯（Scopus）

Adsorption and reaction of C ₂ N ₂ on Si(100)-2×1: A computational study with singleand double-dimer cluster models

Wang, J. H. & Lin, M-C., 1 7月 2004, 於: Journal of Physical Chemistry B. 108, 26, p. 9189-9197 9 p.

研究成果: Article › 同行評審

10 引文斯高帕斯（Scopus）

Combined quantum chemical/RRKM-ME computational study of the phenyl + ethylene, vinyl + benzene, and H + styrene reactions

Tokmakov, I. V. & Lin, M-C., 11 11月 2004, 於: Journal of Physical Chemistry A. 108, 45, p. 9697-9714 18 p.

研究成果: Article › 同行評審

50 引文斯高帕斯（Scopus）

Computational study on the kinetics and mechanisms for the reactions of HCO with HONO and HNOH

Xu, Z. F. & Lin, M-C., 1 1月 2004, 於: International Journal of Chemical Kinetics. 36, 3, p. 178-187 10 p.

研究成果: Article › 同行評審

10 引文斯高帕斯（Scopus）

Experimental and theoretical investigations of rate coefficients of the reaction S(³P) + O₂ in the temperature range 298-878 K

Lu, C. W., Wu, Y. J., Lee, Y-P., Zhu, R. S. & Lin, M-C., 1 11月 2004, 於: Journal of Chemical Physics. 121, 17, p. 8271-8278 8 p.

研究成果: Article › 同行評審

35 引文斯高帕斯（Scopus）

Formation and decomposition of phenylvinylperoxy radicals in the reaction: C6H5C2H2+O2

Choi, Y., Park, J., Wang, L. & Lin, M-C., 20 8月 2004, 於: ChemPhysChem. 5, 8, p. 1231-1234 4 p.

研究成果: Article › 同行評審

7 引文斯高帕斯（Scopus）

Kinetics and mechanism of the C₆H₅ + CH ₃CHO reaction: Experimental measurement and theoretical prediction of the reactivity toward four molecular sites

Choi, Y., Park, J. & Lin, M-C., 14 5月 2004, 於: ChemPhysChem. 5, 5, p. 661-668 8 p.

研究成果: Article › 同行評審

14 引文斯高帕斯（Scopus）

Kinetics and mechanisms for the reactions of phenyl radical with ketene and its deuterated isotopomer: An experimental and theoretical study

Choi, Y. & Lin, M-C., 20 2月 2004, 於: ChemPhysChem. 5, 2, p. 225-232 8 p.

研究成果: Article › 同行評審

8 引文斯高帕斯（Scopus）

Kinetics of phenyl radical reactions with propane, n-butane, n-hexane, and n-octane: Reactivity of C₆H₅ toward the secondary C-H bond of alkanes

Park, J., Wang, L. & Lin, M-C., 1 1月 2004, 於: International Journal of Chemical Kinetics. 36, 1, p. 49-56 8 p.

研究成果: Article › 同行評審

12 引文斯高帕斯（Scopus）

Low-pressure organometallic chemical vapor deposition of indium nitride on titanium dioxide nanoparticles

Wang, J. H. & Lin, M-C., 18 10月 2004, 於: ChemPhysChem. 5, 10, p. 1615-1618 4 p.

研究成果: Article › 同行評審

20 引文斯高帕斯（Scopus）

Photodissociation of nitrosobenzene and decomposition of phenyl radical

Tseng, C-M., Choi, Y., Huang, C. L., Ni, C. K., Lee, Y. T. & Lin, M-C., 30 9月 2004, 於: Journal of Physical Chemistry A. 108, 39, p. 7928-7935 8 p.

研究成果: Article › 同行評審

19 引文斯高帕斯（Scopus）

Quantum chemical/vRRKM study on the thermal decomposition of cyclopentadiene

Tokmakov, I. V., Moskaleva, L. V. & Lin, M-C., 1 1月 2004, 於: International Journal of Chemical Kinetics. 36, 3, p. 139-151 13 p.

研究成果: Article › 同行評審

22 引文斯高帕斯（Scopus）

Thermal decomposition of ethanol. III. A computational study of the kinetics and mechanism for the CH₃+C₂H₅OH reaction

Xu, Z. F., Park, J. & Lin, M-C., 8 4月 2004, 於: Journal of Chemical Physics. 120, 14, p. 6593-6599 7 p.

研究成果: Article › 同行評審

63 引文斯高帕斯（Scopus）

2003

Ab initio studies of ClO_x radical reactions: V. Evidence for a new path in the Cl + ClOOCl reaction

Zhu, R. S. & Lin, M-C., 15 5月 2003, 於: Journal of Physical Chemistry A. 107, 19, p. 3836-3840 5 p.

研究成果: Article › 同行評審

13 引文斯高帕斯（Scopus）

Ab initio studies of ClO _x reactions: VI. Theoretical prediction of total rate constant and product branching probabilities for the HO ₂ + ClO reaction

Xu, Z. F., Zhu, R. S. & Lin, M-C., 15 5月 2003, 於: Journal of Physical Chemistry A. 107, 19, p. 3841-3850 10 p.

研究成果: Article › 同行評審

24 引文斯高帕斯（Scopus）

Ab initio studies of ClO _x reactions. 3. Kinetics and mechanism for the OH + OClO reaction

Xu, Z. F., Zhu, R. & Lin, M-C., 20 2月 2003, 於: Journal of Physical Chemistry A. 107, 7, p. 1040-1049 10 p.

研究成果: Article › 同行評審

21 引文斯高帕斯（Scopus）

Ab initio studies of ClO _x reactions. IV. Kinetics and mechanism for the self-reaction of ClO radicals

Zhu, R. S. & Lin, M-C., 1 3月 2003, 於: Journal of Chemical Physics. 118, 9, p. 4094-4106 13 p.

研究成果: Article › 同行評審

43 引文斯高帕斯（Scopus）

林 明璋

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林明璋