Ming-Chang Lin

2003

Ab initio studies of ClO_x reactions. IX. Combination and disproportionation reactions of ClO and s-ClO₃ radicals

Xu, Z. F. & Lin, M-C., 1 11月 2003, 於: Journal of Chemical Physics. 119, 17, p. 8897-8904 8 p.

研究成果: Article › 同行評審

8 引文斯高帕斯（Scopus）

Ab initio studies of ClO_x reactions. VII. Isomers of Cl₂O₃ and their roles in the ClO + OClO reaction

Zhu, R. S. & Lin, M-C., 15 5月 2003, 於: Journal of Chemical Physics. 118, 19, p. 8645-8655 11 p.

研究成果: Article › 同行評審

15 引文斯高帕斯（Scopus）

Ab initio studies of ClO _x reactions. VIII. Isomerization and decomposition of ClO ₂ radicals and related bimolecular processes

Zhu, R. S. & Lin, M-C., 22 7月 2003, 於: Journal of Chemical Physics. 119, 4, p. 2075-2082 8 p.

研究成果: Article › 同行評審

35 引文斯高帕斯（Scopus）

Ab initio study of the HO₂+NO reaction: Prediction of the total rate constant and product branching ratios for the forward and reverse processes

Zhu, R. S. & Lin, M-C., 22 11月 2003, 於: Journal of Chemical Physics. 119, 20, p. 10667-10677 11 p.

研究成果: Article › 同行評審

37 引文斯高帕斯（Scopus）

Computational study of the HCCO + NO reaction: Ab initio MO/vRRKM calculations of the total rate constant and product branching ratios

Tokmakov, I. V., Moskaleva, L. V., Paschenko, D. V. & Lin, M-C., 20 2月 2003, 於: Journal of Physical Chemistry A. 107, 7, p. 1066-1076 11 p.

研究成果: Article › 同行評審

30 引文斯高帕斯（Scopus）

Experimental and computational studies of the kinetics and mechanisms for C₆H₅ reactions with acetone-h₆ and -d₆

Choi, Y., Park, J. & Lin, M-C., 2 10月 2003, 於: Journal of Physical Chemistry A. 107, 39, p. 7755-7761 7 p.

研究成果: Article › 同行評審

18 引文斯高帕斯（Scopus）

Experiments and Calculations on Rate Coefficients for Pyrolysis of SO ₂ and the Reaction O + SO at High Temperatures

Lu, C. W., Wu, Y. J., Lee, Y-P., Zhu, R. S. & Lin, M-C., 18 12月 2003, 於: Journal of Physical Chemistry A. 107, 50, p. 11020-11029 10 p.

研究成果: Article › 同行評審

27 引文斯高帕斯（Scopus）

H₂O-catalyzed formation of O₃ in the self-reaction of HO₂: A computational study on the effect of nH₂O (n = 1-3)

Zhu, R. S. & Lin, M-C., 4 8月 2003, 於: PhysChemComm. 6, p. 51-54 4 p., 13.

研究成果: Article › 同行評審

18 引文斯高帕斯（Scopus）

Kinetics and mechanism for the CH₂O + NO₂ reaction: A computational study

Xu, Z. F. & Lin, M-C., 1 1月 2003, 於: International Journal of Chemical Kinetics. 35, 5, p. 184-190 7 p.

研究成果: Article › 同行評審

19 引文斯高帕斯（Scopus）

Nitromethane-methyl nitrite rearrangement: A persistent discrepancy between theory and experiment

Nguyen, M. T., Le, H. T., Hajgató, B., Veszprémi, T. & Lin, M-C., 29 5月 2003, 於: Journal of Physical Chemistry A. 107, 21, p. 4286-4291 6 p.

研究成果: Article › 同行評審

78 引文斯高帕斯（Scopus）

Reaction of phenyl radicals with acetylene: Quantum chemical investigation of the mechanism and master equation analysis of the kinetics

Tokmakov, I. V. & Lin, M-C., 17 9月 2003, 於: Journal of the American Chemical Society. 125, 37, p. 11397-11408 12 p.

研究成果: Article › 同行評審

70 引文斯高帕斯（Scopus）

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

Park, J., Xu, Z. F. & Lin, M-C., 8 6月 2003, 於: Journal of Chemical Physics. 118, 22, p. 9990-9996 7 p.

研究成果: Article › 同行評審

57 引文斯高帕斯（Scopus）

2002

Ab initio studies of ClO_x reactions. 2. Unimolecular decomposition of s-ClO₃ and the bimolecular O + OClO reaction

Zhu, R. S. & Lin, M-C., 12 9月 2002, 於: Journal of Physical Chemistry A. 106, 36, p. 8386-8390 5 p.

研究成果: Article › 同行評審

16 引文斯高帕斯（Scopus）

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

Zhu, R. S., Xu, Z. F. & Lin, M-C., 1 5月 2002, 於: Journal of Chemical Physics. 116, 17, p. 7452-7460 9 p.

研究成果: Article › 同行評審

29 引文斯高帕斯（Scopus）

Ab initio study of the catalytic effect of H₂O on the self-reaction of HO₂

Zhu, R. & Lin, M-C., 12 3月 2002, 於: Chemical Physics Letters. 354, 3-4, p. 217-226 10 p.

研究成果: Article › 同行評審

59 引文斯高帕斯（Scopus）

An experimental and computational study of the thermal oxidation of C₆H₅NO by NO₂

Park, J., Choi, Y. M., Dyakov, I. V. & Lin, M-C., 28 3月 2002, 於: Journal of Physical Chemistry A. 106, 12, p. 2903-2907 5 p.

研究成果: Article › 同行評審

4 引文斯高帕斯（Scopus）

Chemical speciation and dynamics in the surface combustion zone of energetic materials

Brill, T. B., Beckstead, M. C., Flanagan, J. E., Lin, M-C., Litzinger, T. A., Waesche, R. H. W. & Wight, C. A., 1 1月 2002, 於: Journal of Propulsion and Power. 18, 4, p. 824-834 11 p.

研究成果: Article › 同行評審

22 引文斯高帕斯（Scopus）

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

Hsiao, C. C., Lee, Y-P., Wang, N-S., Wang, J. H. & Lin, M-C., 31 10月 2002, 於: Journal of Physical Chemistry A. 106, 43, p. 10231-10237 7 p.

研究成果: Article › 同行評審

21 引文斯高帕斯（Scopus）

High charge flexibility of the surface dangling bonds on the Si(1 1 1)- 7 x 7 surface and NH₃ chemisorption: A DFT study

Lu, X., Xu, X., Wang, N., Zhang, Q. & Lin, M-C., 2 4月 2002, 於: Chemical Physics Letters. 355, 3-4, p. 365-370 6 p.

研究成果: Article › 同行評審

23 引文斯高帕斯（Scopus）

Kinetics and mechanism of the OH + C₆H₆ reaction: A detailed analysis with first-principles calculations

Tokmakov, I. V. & Lin, M-C., 21 11月 2002, 於: Journal of Physical Chemistry A. 106, 46, p. 11309-11326 18 p.

研究成果: Article › 同行評審

91 引文斯高帕斯（Scopus）

Low-energy paths for the unimolecular decomposition of CH₃OH: A G2M/statistical theory study

Xia, W. S., Zhu, R. S., Lin, M-C. & Mebel, A. M., 1 1月 2002, 於: Faraday Discussions. 119, 1, p. 191-205 15 p.

研究成果: Article › 同行評審

43 引文斯高帕斯（Scopus）

Thermal decomposition of 2,2-bis(difluoroamino) propane studied by FTIR spectrometry and quantum chemical calculations: The primary dissociation kinetics and the mechanism for decomposition of the (CH₃)₂CNF₂ radical

Park, J., Chakraborty, D., Jamindar, S., Xia, W. S., Lin, M-C. & Bedford, C., 25 2月 2002, 於: Thermochimica Acta. 384, 1-2, p. 101-111 11 p.

研究成果: Article › 同行評審

6 引文斯高帕斯（Scopus）

Thermal decomposition of ethanol. I. Ab initio molecular orbital/Rice-Ramsperger-Kassel-Marcus prediction of rate constant and product branching ratios

Park, J., Zhu, R. S. & Lin, M-C., 15 8月 2002, 於: Journal of Chemical Physics. 117, 7, p. 3224-3231 8 p.

研究成果: Article › 同行評審

128 引文斯高帕斯（Scopus）

Thermal decomposition of iso-propanol: First-principles prediction of total and product-branching rate constants

Bui, B. H., Zhu, R. S. & Lin, M-C., 22 12月 2002, 於: Journal of Chemical Physics. 117, 24, p. 11188-11195 8 p.

研究成果: Article › 同行評審

56 引文斯高帕斯（Scopus）

2001

Ab initio molecular orbital/Rice-Ramsperger-Kassel-Marcus theory study of multichannel rate constants for the unimolecular decomposition of benzene and the H+C ₆ H ₅ reaction over the ground electronic state

Mebel, A. M., Lin, M-C., Chakraborty, D., Park, J., Lin, S. H. & Lee, Y. T., 15 5月 2001, 於: Journal of Chemical Physics. 114, 19, p. 8421-8435 15 p.

研究成果: Article › 同行評審

55 引文斯高帕斯（Scopus）

Ab initio study of ammonium perchlorate combustion initiation processes: Unimolecular decomposition of perchloric acid and the related OH + ClO ₃ reaction

Zhu, R. S. & Lin, M-C., 13 12月 2001, 於: PhysChemComm. 4, p. 1-6 6 p., 25.

研究成果: Article › 同行評審

11 引文斯高帕斯（Scopus）

Ab initio study of the CH ₃ +O ₂ reaction: Kinetics, mechanism and product branching probabilities

Zhu, R., Hsu, C. C. & Lin, M-C., 1 7月 2001, 於: Journal of Chemical Physics. 115, 1, p. 195-203 9 p.

研究成果: Article › 同行評審

65 引文斯高帕斯（Scopus）

A computational study of the mechanism for self-assembly of N -pyrrolyl radicals on Si(1 0 0)- 2×1

Luo, H. & Lin, M-C., 3 8月 2001, 於: Chemical Physics Letters. 343, 3-4, p. 219-224 6 p.

研究成果: Article › 同行評審

29 引文斯高帕斯（Scopus）

A computational study of the OH(OD) + CO reactions: Effects of pressure, temperature, and quantum-mechanical tunneling on product formation

Zhu, R. S., Diau, W-G., Lin, M-C. & Mebel, A. M., 1 12月 2001, 於: Journal of Physical Chemistry A. 105, 50, p. 11249-11259 11 p.

研究成果: Article › 同行評審

75 引文斯高帕斯（Scopus）

Adsorption, isomerization, and decomposition of HCN on Si(100)2 × 1: A computational study with a double-dimer cluster model

Bacalzo-Gladden, F., Lu, X. & Lin, M-C., 17 5月 2001, 於: Journal of Physical Chemistry B. 105, 19, p. 4368-4373 6 p.

研究成果: Article › 同行評審

31 引文斯高帕斯（Scopus）

Adsorption of methanol, formaldehyde and formic acid on the Si(100)-2 × 1 surface: A computational study

Lu, X., Zhang, Q. & Lin, M-C., 11 8月 2001, 於: Physical Chemistry Chemical Physics. 3, 11, p. 2156-2161 6 p.

研究成果: Article › 同行評審

88 引文斯高帕斯（Scopus）

A multifacet mechanism for the OH+HNO₃ reaction: An ab initio molecular orbital/statistical theory study

Xia, W. S. & Lin, M-C., 8 3月 2001, 於: Journal of Chemical Physics. 114, 10, p. 4522-4532 11 p.

研究成果: Article › 同行評審

26 引文斯高帕斯（Scopus）

A theoretical study of HN₃ reaction with the C(1 0 0)- 2×1 surface

Lu, X., Fu, G., Wang, N., Zhang, Q. & Lin, M-C., 3 8月 2001, 於: Chemical Physics Letters. 343, 3-4, p. 212-218 7 p.

研究成果: Article › 同行評審

17 引文斯高帕斯（Scopus）

Chemisorption and decomposition of thiophene and furan on the Si(100)-2 × 1 Surface: A quantum chemical study

Lu, X., Xu, X., Wang, N., Zhang, Q. & Lin, M-C., 18 10月 2001, 於: Journal of Physical Chemistry B. 105, 41, p. 10069-10075 7 p.

研究成果: Article › 同行評審

89 引文斯高帕斯（Scopus）

Computational Study on the Energetics of NCN Isomers and the Kinetics of the C + N₂ ⇄ N + CN Reaction

Moskaleva, L. V. & Lin, M-C., 26 4月 2001, 於: Journal of Physical Chemistry A. 105, 16, p. 4156-4163 8 p.

研究成果: Article › 同行評審

27 引文斯高帕斯（Scopus）

Diels-Alder addition of some 6- and 5-member ring aromatic compounds on the Si(001)-2×1 surface: Dependence of the binding energy on the resonance energy of the aromatic compounds

Lü, X., Lin, M-C., Xu, X., Wang, N. & Zhang, Q., 1 1月 2001, 於: Science in China, Series B: Chemistry. 44, 5, p. 473-477 5 p.

研究成果: Article › 同行評審

4 引文斯高帕斯（Scopus）

Does CH₃ addition to C₆H₆ occur as reported?

Park, J. & Lin, M-C., 1 12月 2001, 於: International Journal of Chemical Kinetics. 33, 12, p. 803-807 5 p.

研究成果: Article › 同行評審

4 引文斯高帕斯（Scopus）

Kinetics and mechanism for the H-for-X exchange process in the H + C₆H₅X reactions: A computational study

Tokmakov, I. V. & Lin, M-C., 1 1月 2001, 於: International Journal of Chemical Kinetics. 33, 11, p. 633-653 21 p.

研究成果: Article › 同行評審

17 引文斯高帕斯（Scopus）

Kinetics of phenyl radical reactions with ethane and neopentane: reactivity of C₆H₅ toward the primary C-H bond of alkanes

Park, J., Gheyas, S. & Lin, M-C., 1 1月 2001, 於: International Journal of Chemical Kinetics. 33, 1, p. 64-69 6 p.

研究成果: Article › 同行評審

9 引文斯高帕斯（Scopus）

The CH + N₂ Association Reaction at Low Temperatures: Ab Initio MO/VRRKM-Theory Analysis of Temperature and Pressure Effects

Moskaleva, L. V. & Lin, M-C., 1 1月 2001, 於: Zeitschrift fur Physikalische Chemie. 215, 37104, 1 p.

研究成果: Article › 同行評審

5 引文斯高帕斯（Scopus）

The CH ₃ + HO ₂ reaction: First-principles prediction of its rate constant and product branching probabilities

Zhu, R. & Lin, M-C., 28 6月 2001, 於: Journal of Physical Chemistry A. 105, 25, p. 6243-6248 6 p.

研究成果: Article › 同行評審

49 引文斯高帕斯（Scopus）

Theoretical study of [4 + 2] cycloadditions of some 6- And 5-member ring aromatic compounds on the Si(001)-2 × 1 surface: Correlation between binding energy and resonance energy

Lu, X., Lin, M-C., Xu, X., Wang, N. & Zhang, Q., 21 6月 2001, 於: PhysChemComm. 4, p. 1-3 3 p.

研究成果: Article › 同行評審

2 引文斯高帕斯（Scopus）

The self-reaction of hydroperoxyl radicals: Ab initio characterization of dimer structures and reaction mechanisms

Zhu, R. & Lin, M-C., 31 10月 2001, 於: PhysChemComm. 4, p. 1-6 6 p., 23.

研究成果: Article › 同行評審

19 引文斯高帕斯（Scopus）

2000

Ab initio MO/statistical theory prediction of the OH + HONO reaction rate: Evidence for the negative temperature dependence

Xia, W. S. & Lin, M-C., 13 12月 2000, 於: PhysChemComm. 3, 13.

研究成果: Article › 同行評審

8 引文斯高帕斯（Scopus）

A computational study of the mechanism for the C ₆ H ₅ + CH ₂ O reaction

Xia, W. S. & Lin, M-C., 15 12月 2000, 於: Physical Chemistry Chemical Physics. 2, 24, p. 5566-5570 5 p.

研究成果: Article › 同行評審

9 引文斯高帕斯（Scopus）

A new path to "prompt" NO: CH + N₂ = H + NCN studied by ab initio MO and statistical theory calculations

Lin, M-C., Moskaleva, L. V. & Xia, W., 20 8月 2000, 於: ACS Division of Fuel Chemistry, Preprints. 45, 3, p. 413-415 3 p.

研究成果: Article › 同行評審

Bonding configurations of acetylene adsorbed on the Si(100)-2 x surface predicted by density functional cluster model calculations

Lu, X. & Lin, M-C., 15 9月 2000, 於: Physical Chemistry Chemical Physics. 2, 18, p. 4213-4217 5 p.

研究成果: Article › 同行評審

32 引文斯高帕斯（Scopus）

Gas-phase reactions of HONO with HNO and NH3: An Ab initio MO/TST study

Lu, X., Musin, R. N. & Lin, M-C., 1 6月 2000, 於: Journal of Physical Chemistry A. 104, 21, p. 5141-5148 8 p.

研究成果: Article › 同行評審

25 引文斯高帕斯（Scopus）

Gas phase reactions of HONO with NO₂, O₃, and HCl: Ab initio and TST study

Lu, X., Park, J. & Lin, M-C., 25 8月 2000, 於: Journal of Physical Chemistry A. 104, 38, p. 8730-8738 9 p.

研究成果: Article › 同行評審

23 引文斯高帕斯（Scopus）

Kinetics and mechanism for the reaction of phenyl radical with formaldehyde

Choi, Y. M., Xia, W. S., Park, J. & Lin, M-C., 3 8月 2000, 於: Journal of Physical Chemistry A. 104, 30, p. 7030-7035 6 p.

研究成果: Article › 同行評審

34 引文斯高帕斯（Scopus）

林 明璋

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林明璋