Ming-Chang Lin

2013

Ab initio chemical kinetics for H + NCN: Prediction of NCN heat of formation and reaction product branching via doublet and quartet surfaces

Teng, W. S., Moskaleva, L. V., Chen, H. L. & Lin, M-C., 18 7月 2013, 於: Journal of Physical Chemistry A. 117, 28, p. 5775-5784 10 p.

研究成果: Article › 同行評審

19 引文斯高帕斯（Scopus）

Ab initio chemical kinetics for reactions of H atoms with SiH_x (x = 1-3) radicals and related unimolecular decomposition processes

Raghunath, P., Lee, Y. M., Wu, S. Y., Wu, J-S. & Lin, M-C., 15 6月 2013, 於: International Journal of Quantum Chemistry. 113, 12, p. 1735-1746 12 p.

研究成果: Article › 同行評審

17 引文斯高帕斯（Scopus）

Ab initio chemical kinetics for SiH₂ + Si₂H ₆ and SiH₃ + Si₂H₅ Reactions and the related unimolecular decomposition of Si₃H₈ under a-Si/H CVD conditions

Raghunath, P. & Lin, M-C., 1 11月 2013, 於: Journal of Physical Chemistry A. 117, 42, p. 10811-10823 13 p.

研究成果: Article › 同行評審

12 引文斯高帕斯（Scopus）

An acid-base controllable hierarchical nanostructure from a NIR-absorbing conjugated polyrotaxane-based optical molecular switch

Raju, M. V. R., Raghunath, P., Lin, M-C. & Lin, H-C., 10 9月 2013, 於: Macromolecules. 46, 17, p. 6731-6743 13 p.

研究成果: Article › 同行評審

13 引文斯高帕斯（Scopus）

Carbon-doped TiO₂ nanotubes: Experimental and computational studies

Huang, W. F., Wu, P. J., Hsu, W. C., Wu, C. W., Liang, K. S. & Lin, M-C., 1 5月 2013, 於: Journal of Theoretical and Computational Chemistry. 12, 3, 3500077.

研究成果: Article › 同行評審

8 引文斯高帕斯（Scopus）

Computational investigation of the adsorption and reactions of SiH _x (x = 0-4) on TiO₂ anatase (101) and rutile (110) surfaces

Huang, W. F., Chen, H. T. & Lin, M-C., 15 6月 2013, 於: International Journal of Quantum Chemistry. 113, 12, p. 1696-1708 13 p.

研究成果: Article › 同行評審

4 引文斯高帕斯（Scopus）

Effect of roaming transition states upon product branching in the thermal decomposition of CH₃NO₂

Zhu, R. S., Raghunath, P. & Lin, M-C., 15 8月 2013, 於: Journal of Physical Chemistry A. 117, 32, p. 7308-7313 6 p.

研究成果: Article › 同行評審

41 引文斯高帕斯（Scopus）

Kinetics for the reactions of phenyl with methanol and ethanol: Comparison of theory and experiment

Park, J., Xu, Z. F., Xu, K. & Lin, M-C., 1 1月 2013, 於: Proceedings of the Combustion Institute. 34, 1, p. 473-482 10 p.

研究成果: Article › 同行評審

11 引文斯高帕斯（Scopus）

Quantum chemical elucidation of the mechanism for hydrogenation of TiO ₂ anatase crystals

Raghunath, P., Huang, W. F. & Lin, M-C., 21 4月 2013, 於: Journal of Chemical Physics. 138, 15, 154705.

研究成果: Article › 同行評審

37 引文斯高帕斯（Scopus）

Structure in the visible absorption bands of jet-cooled phenylperoxy radicals

Freel, K. A., Sullivan, M. N., Park, J., Lin, M-C. & Heaven, M. C., 15 8月 2013, 於: Journal of Physical Chemistry A. 117, 32, p. 7484-7491 8 p.

研究成果: Article › 同行評審

5 引文斯高帕斯（Scopus）

2012

Ab initio chemical kinetics for the ClOO + NO reaction: Effects of temperature and pressure on product branching formation

Raghunath, P. & Lin, M-C., 7 7月 2012, 於: Journal of Chemical Physics. 137, 1, 014315.

研究成果: Article › 同行評審

2 引文斯高帕斯（Scopus）

Ab initio chemical kinetics for the hydrolysis of N₂O ₄ isomers in the gas phase

Zhu, R. S., Lai, K. Y. & Lin, M-C., 10 5月 2012, 於: Journal of Physical Chemistry A. 116, 18, p. 4466-4472 7 p.

研究成果: Article › 同行評審

32 引文斯高帕斯（Scopus）

Dynamics of the reactions of O( ¹D) with CD ₃OH and CH ₃OD studied with time-resolved Fourier-transform IR spectroscopy

Huang, C. K., Xu, Z. F., Nakajima, M., Nguyen, H. M. T., Lin, M-C., Tsuchiya, S. & Lee, Y-P., 28 10月 2012, 於: Journal of Chemical Physics. 137, 16, 164307.

研究成果: Article › 同行評審

20 引文斯高帕斯（Scopus）

Kinetics and mechanisms for the adsorption, dissociation, and diffusion of hydrogen in Ni and Ni/YSZ slabs: A DFT study

Weng, M. H., Chen, H. T., Wang, Y. C., Ju, S. P., Chang, J. G. & Lin, M-C., 3 4月 2012, 於: Langmuir. 28, 13, p. 5596-5605 10 p.

研究成果: Article › 同行評審

33 引文斯高帕斯（Scopus）

Mechanism and kinetics for ammonium dinitramide (ADN) sublimation: A first-principles study

Zhu, R. S., Chen, H. L. & Lin, M-C., 8 11月 2012, 於: Journal of Physical Chemistry A. 116, 44, p. 10836-10841 6 p.

研究成果: Article › 同行評審

11 引文斯高帕斯（Scopus）

Quantum chemical prediction of reaction pathways and rate constants for the reactions of O _x (x = 1 and 2) with pristine and defective graphite (0001) surfaces

Xu, S. C., Chen, H. L. & Lin, M-C., 19 1月 2012, 於: Journal of Physical Chemistry C. 116, 2, p. 1841-1849 9 p.

研究成果: Article › 同行評審

13 引文斯高帕斯（Scopus）

The adsorption and reactions of SiCl _x (x=0-4) on hydroxylated TiO ₂ anatase (101) surface: A computational study on the functionalization of titania with Cl ₂Si(O)O adsorbate

Huang, W. F., Chen, H. T. & Lin, M-C., 1 8月 2012, 於: Computational and Theoretical Chemistry. 993, p. 45-52 8 p.

研究成果: Article › 同行評審

9 引文斯高帕斯（Scopus）

Vitalizing fuel cells with vitamins: Pyrolyzed vitamin B12 as a non-precious catalyst for enhanced oxygen reduction reaction of polymer electrolyte fuel cells

Chang, S. T., Wang, C. H., Du, H. Y., Hsu, H. C., Kang, C. M., Chen, C. C., Wu, J. C. S., Yen, S. C., Huang, W. F., Chen, L. C., Lin, M-C. & Chen, K. H., 1 1月 2012, 於: Energy and Environmental Science. 5, 1, p. 5305-5314 10 p.

研究成果: Article › 同行評審

111 引文斯高帕斯（Scopus）

Why mixtures of hydrazine and dinitrogen tetroxide are hypergolic?

Lai, K. Y., Zhu, R. & Lin, M-C., 1 6月 2012, 於: Chemical Physics Letters. 537, p. 33-37 5 p.

研究成果: Article › 同行評審

27 引文斯高帕斯（Scopus）

2011

Ab initio chemical kinetics for ClO reactions with HO_x, ClO_x and NO_x (x = 1, 2): A review

Zhu, R. S. & Lin, M-C., 1 1月 2011, 於: Computational and Theoretical Chemistry. 965, 2-3, p. 328-339 12 p.

研究成果: Article › 同行評審

14 引文斯高帕斯（Scopus）

Ab initio chemical kinetics for reactions of ClO with Cl ₂ O ₂ isomers

Zhu, R. S. & Lin, M-C., 7 2月 2011, 於: Journal of Chemical Physics. 134, 5, 054307.

研究成果: Article › 同行評審

5 引文斯高帕斯（Scopus）

Blue/near UV light emission from hybrid InN/TiO₂ nanoparticle films

Wu, C. W., Lu, C. W., Lee, Y-P., Wu, Y. J., Cheng, B. M. & Lin, M-C., 28 6月 2011, 於: Journal of Materials Chemistry. 21, 24, p. 8540-8542 3 p.

研究成果: Article › 同行評審

6 引文斯高帕斯（Scopus）

Cavity ring-down spectroscopy of the phenyl radical in a pulsed discharge supersonic jet expansion

Freel, K., Park, J., Lin, M-C. & Heaven, M. C., 9 5月 2011, 於: Chemical Physics Letters. 507, 4-6, p. 216-220 5 p.

研究成果: Article › 同行評審

10 引文斯高帕斯（Scopus）

Computational investigation of O₂ reduction and diffusion on 25% Sr-doped LaMnO₃ cathodes in solid oxide fuel cells

Chen, H. T., Raghunath, P. & Lin, M-C., 7 6月 2011, 於: Langmuir. 27, 11, p. 6787-6793 7 p.

研究成果: Article › 同行評審

38 引文斯高帕斯（Scopus）

Computational study on the reactions of H₂O₂ on TiO₂ anatase (101) and rutile (110) surfaces

Huang, W. F., Raghunath, P. & Lin, M-C., 30 4月 2011, 於: Journal of Computational Chemistry. 32, 6, p. 1065-1081 17 p.

研究成果: Article › 同行評審

60 引文斯高帕斯（Scopus）

Observation of Significant enhancement in the efficiency of a DSSC by InN nanoparticles over TiO₂-nanoparticle films

Wang, T. T., Raghunath, P., Lu, Y. F., Liu, Y. C., Chiou, C. H. & Lin, M-C., 24 6月 2011, 於: Chemical Physics Letters. 510, 1-3, p. 126-130 5 p.

研究成果: Article › 同行評審

12 引文斯高帕斯（Scopus）

Photodissociation dynamics of benzaldehyde (C₆H₅CHO) at 266, 248, and 193 nm

Bagchi, A., Huang, Y. H., Xu, Z. F., Raghunath, P., Lee, Y. T., Ni, C. K., Lin, M-C. & Lee, Y-P., 4 11月 2011, 於: Chemistry - An Asian Journal. 6, 11, p. 2961-2976 16 p.

研究成果: Article › 同行評審

19 引文斯高帕斯（Scopus）

Roaming-mediated isomerization in the photodissociation of nitrobenzene

Hause, M. L., Herath, N., Zhu, R., Lin, M-C. & Suits, A. G., 1 12月 2011, 於: Nature Chemistry. 3, 12, p. 932-937 6 p.

研究成果: Article › 同行評審

105 引文斯高帕斯（Scopus）

Shock tube study on the thermal decomposition of ethanol

Wu, C. W., Matsui, H., Wang, N-S. & Lin, M-C., 21 7月 2011, 於: Journal of Physical Chemistry A. 115, 28, p. 8086-8092 7 p.

研究成果: Article › 同行評審

23 引文斯高帕斯（Scopus）

Thermal decomposition of ethanol. 4. Ab initio chemical kinetics for reactions of H atoms with CH₃CH₂O and CH₃CHOH radicals

Xu, Z. F., Xu, K. & Lin, M-C., 21 4月 2011, 於: Journal of Physical Chemistry A. 115, 15, p. 3509-3522 14 p.

研究成果: Article › 同行評審

14 引文斯高帕斯（Scopus）

2010

Ab initio chemical kinetics for SiH₃ reactions with Si _xH_2x+2 (x = 1-4)

Raghunath, P. & Lin, M-C., 30 12月 2010, 於: Journal of Physical Chemistry A. 114, 51, p. 13353-13361 9 p.

研究成果: Article › 同行評審

8 引文斯高帕斯（Scopus）

Ab initio chemical kinetics for singlet CH ₂ reaction with N ₂and the related decomposition of diazomethane

Xu, S. & Lin, M-C., 22 4月 2010, 於: Journal of Physical Chemistry A. 114, 15, p. 5195-5204 10 p.

研究成果: Article › 同行評審

9 引文斯高帕斯（Scopus）

Ab initio chemical kinetics for the NH ₂ + HNO _x reactions, Part III: Kinetics and mechanism for NH ₂ + HONO ₂

Shucheng, X. U. & Lin, M-C., 1 2月 2010, 於: International Journal of Chemical Kinetics. 42, 2, p. 69-78 10 p.

研究成果: Article › 同行評審

4 引文斯高帕斯（Scopus）

Ab initio chemical kinetics for the reaction of an H atom with Si ₃H₈

Varma, D. H., Raghunath, P. & Lin, M-C., 18 3月 2010, 於: Journal of Physical Chemistry A. 114, 10, p. 3642-3648 7 p.

研究成果: Article › 同行評審

13 引文斯高帕斯（Scopus）

Ab initio chemical kinetics for the reactions of N₂ with singlet and triplet C₂O radicals

Zhu, R. S., Xu, S. C. & Lin, M-C., 22 3月 2010, 於: Chemical Physics Letters. 488, 4-6, p. 121-125 5 p.

研究成果: Article › 同行評審

8 引文斯高帕斯（Scopus）

Ab initio chemical kinetic study for reactions of H atoms with SiH ₄ and Si₂H₆: Comparison of theory and experiment

Wu, S. Y., Raghunath, P., Wu, J-S. & Lin, M-C., 14 1月 2010, 於: Journal of Physical Chemistry A. 114, 1, p. 633-639 7 p.

研究成果: Article › 同行評審

19 引文斯高帕斯（Scopus）

Ab initio chemical kinetic study on Cl + ClO and related reverse processes

Xu, Z. F. & Lin, M-C., 4 11月 2010, 於: Journal of Physical Chemistry A. 114, 43, p. 11477-11482 6 p.

研究成果: Article › 同行評審

5 引文斯高帕斯（Scopus）

Ab initio chemical kinetic study on the reactions of ClO with C ₂H₂ and C₂H₄

Zhu, R. S. & Lin, M-C., 30 12月 2010, 於: Journal of Physical Chemistry A. 114, 51, p. 13395-13401 7 p.

研究成果: Article › 同行評審

4 引文斯高帕斯（Scopus）

An Ab initio chemical kinetic study on the reactions of H, OH, and Cl with HOClO₃

Zhu, R. S. & Lin, M-C., 1 4月 2010, 於: International Journal of Chemical Kinetics. 42, 4, p. 253-261 9 p.

研究成果: Article › 同行評審

5 引文斯高帕斯（Scopus）

Computational studies on metathetical and redox processes of HOCl in gas phase. III. Its self-reaction and interactions with HNO _x (x = 1-3)

Xu, Z. F. & Lin, M-C., 29 4月 2010, 於: Journal of Physical Chemistry A. 114, 16, p. 5320-5326 7 p.

研究成果: Article › 同行評審

1 引文斯高帕斯（Scopus）

Computational studies on metathetical and redox processes of HOCl in the gas phase: (II) reactions with ClO_x. (x = 1-4)

Xu, Z. F. & Lin, M-C., 21 1月 2010, 於: Journal of Physical Chemistry A. 114, 2, p. 833-838 6 p.

研究成果: Article › 同行評審

5 引文斯高帕斯（Scopus）

Enhanced catalytic activity of Ce_1-xM_xO₂ (M = Ti, Zr, and Hf) solid solution with controlled morphologies

Chen, W. T., Chen, K. B., Wang, M. F., Weng, S. F., Lee, C-S. & Lin, M-C., 13 5月 2010, 於: Chemical Communications. 46, 19, p. 3286-3288 3 p.

研究成果: Article › 同行評審

55 引文斯高帕斯（Scopus）

First-principles study of water effect on the sublimation of ammonium perchlorate

Zhu, R. & Lin, M-C., 1 1月 2010, 於: International Journal of Energetic Materials and Chemical Propulsion. 9, 6, p. 493-504 12 p.

研究成果: Article › 同行評審

1 引文斯高帕斯（Scopus）

Photolytically and thermally initiated reactions of NH₃ with NO_x (X=1,2)

Park, J., Gates, S. & Lin, M-C., 1 4月 2010, 於: Combustion science and technology. 182, 4-6, p. 365-379 15 p.

研究成果: Article › 同行評審

5 引文斯高帕斯（Scopus）

Quantum chemical prediction of reaction pathways and rate constants for reactions of NO and NO₂ with monovacancy defects on graphite (0001) surfaces

Xu, S. C., Irle, S. & Lin, M-C., 13 5月 2010, 於: Journal of Physical Chemistry C. 114, 18, p. 8375-8382 8 p.

研究成果: Article › 同行評審

7 引文斯高帕斯（Scopus）

Rational design of novel cathode materials in solid oxide fuel cells using first-principles simulations

Choi, Y. M., Lin, M-C. & Liu, M., 1 3月 2010, 於: Journal of Power Sources. 195, 5, p. 1441-1445 5 p.

研究成果: Article › 同行評審

75 引文斯高帕斯（Scopus）

Shock tube study on the thermal decomposition of CH₃OH

Lu, K. W., Matsui, H., Huang, C. L., Raghunath, P., Wang, N-S. & Lin, M-C., 6 5月 2010, 於: Journal of Physical Chemistry A. 114, 17, p. 5493-5502 10 p.

研究成果: Article › 同行評審