分子科學碩博班

2012

Absorption and fluorescence spectra of the neutral and anionic green fluorescent protein chromophore: Franck-Condon simulation

Huang, T. W., Yang, L., Zhu, C. & Lin, S. H., 10 7月 2012, 於: Chemical Physics Letters. 541, p. 110-116 7 p.

研究成果: Article › 同行評審

17 引文斯高帕斯（Scopus）

An algorithm and FORTRAN program for automatic computation of the Zhang-Zhang polynomial of Benzenoids

Chou, C. P. & Witek, H. A., 1 1月 2012, 於: Match. 68, 1, p. 3-30 28 p.

研究成果: Article › 同行評審

40 引文斯高帕斯（Scopus）

Anharmonic Franck-Condon simulation of the absorption and fluorescence spectra for the low-lying S ₁ and S ₂ excited states of pyrimidine

Yang, L., Zhu, C., Yu, J. & Lin, S. H., 25 5月 2012, 於: Chemical Physics. 400, p. 126-136 11 p.

研究成果: Article › 同行評審

15 引文斯高帕斯（Scopus）

Electron-deficient pyrimidine adopted in porphyrin sensitizers: A theoretical interpretation of π-spacers leading to highly efficient photo-to-electric conversion performances in dye-sensitized solar cells

Guo, M., He, R., Dai, Y., Shen, W., Li, M., Zhu, C. & Lin, S. H., 26 4月 2012, 於: Journal of Physical Chemistry C. 116, 16, p. 9166-9179 14 p.

研究成果: Article › 同行評審

80 引文斯高帕斯（Scopus）

Enhanced optical absorption and photocatalytic activity of anatase TiO ₂ through (Si,Ni) codoping

Lin, Y., Jiang, Z., Zhu, C., Hu, X., Zhang, X., Zhu, H. & Fan, J., 6 8月 2012, 於: Applied Physics Letters. 101, 6, 062106.

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23 引文斯高帕斯（Scopus）

Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effects

Guo, M., He, R., Dai, Y., Shen, W., Li, M., Zhu, C. & Lin, S. H., 14 4月 2012, 於: Journal of Chemical Physics. 136, 14, 144313.

研究成果: Article › 同行評審

34 引文斯高帕斯（Scopus）

Highly hydrated Nafion/activated carbon hybrids

Chien, H. C., Tsai, L. D., Kelarakis, A., Lai, C. M., Lin, J. N., Fang, J., Zhu, C. & Chang, F. C., 12 10月 2012, 於: Polymer. 53, 22, p. 4927-4930 4 p.

研究成果: Article › 同行評審

11 引文斯高帕斯（Scopus）

Recent developments in radiationless transitions

Niu, Y., Lin, C., Yang, L., Yu, J., He, R., Pang, R., Zhu, C. Y., Michitoshi, H. & Lin, S. H., 11 5月 2012, 於: Progress in Chemistry. 24, 6, p. 928-949 22 p.

研究成果: Article › 同行評審

1 引文斯高帕斯（Scopus）

Visible-light photocatalytic activity of Ni-doped TiO ₂ from ab initio calculations

Lin, Y. M., Jiang, Z. Y., Zhu, C., Hu, X. Y., Zhang, X. D. & Fan, J., 16 4月 2012, 於: Materials Chemistry and Physics. 133, 2-3, p. 746-750 5 p.

研究成果: Article › 同行評審

40 引文斯高帕斯（Scopus）

Zhang-Zhang polynomials of various classes of benzenoid systems

Chou, C. P., Li, Y. & Witek, H. A., 1 12月 2012, 於: Match. 68, 1, p. 31-64 34 p.

研究成果: Article › 同行評審

43 引文斯高帕斯（Scopus）

2011

A quasiclassical trajectory study of reactive scattering on an analytical potential energy surface for GeH₂ system

Zhang, L., Zhu, C. Y., Jiang, G., Zhu, C. & Zhu, Z. H., 4月 2011, 於: Journal of Theoretical and Computational Chemistry. 10, 2, p. 147-163 17 p.

研究成果: Article › 同行評審

CNS-targeted AAV5 gene transfer results in global dispersal of vector and prevention of morphological and function deterioration in CNS of globoid cell leukodystrophy mouse model

Lin, D. S., Hsiao, C. D., Liau, I., Lin, S. P., Chiang, M. F., Chuang, C. K., Wang, T. J., Wu, T. Y., Jian, Y. R., Huang, S. F. & Liu, H. L., 8月 2011, 於: Molecular Genetics and Metabolism. 103, 4, p. 367-377 11 p.

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25 引文斯高帕斯（Scopus）

Doxorubicin-loaded nanosized micelles of a star-shaped poly(ε- caprolactone)-polyphosphoester block co-polymer for treatment of human breast cancer

Cuong, N. V., Hsieh, M. F., Chen, Y. T. & Liau, I., 2011, 於: Journal of Biomaterials Science, Polymer Edition. 22, 11, p. 1409-1426 18 p.

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28 引文斯高帕斯（Scopus）

Dramatic reduction of IR vibrational cross sections of molecules encapsulated in carbon nanotubes

Kazachkin, D. V., Nishimura, Y., Witek, H. A., Irle, S. & Borguet, E., 1 6月 2011, 於: Journal of the American Chemical Society. 133, 21, p. 8191-8198 8 p.

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34 引文斯高帕斯（Scopus）

Excited state ab initio and franck-condon simulation of S ₁ → S ₀ fluorescence excitation spectra of p -, m -, and o -difluorobenzenes

Yang, Q., He, R., Shen, W., Li, H., Li, M., Zhu, C. & Lin, S. H., 8 12月 2011, 於: Journal of Physical Chemistry A. 115, 48, p. 14022-14033 12 p.

研究成果: Article › 同行評審

4 引文斯高帕斯（Scopus）

Imaging of zebrafish In Vivo with second-harmonic generation reveals shortened sarcomeres associated with myopathy induced by statin

Huang, S. H., Hsiao, C. D., Lin, D. S., Chow, C. Y., Chang, C. J. & Liau, I., 23 9月 2011, 於: PLoS ONE. 6, 9, p. 1-8 8 p., e24764.

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33 引文斯高帕斯（Scopus）

Induction of Cell-Cell Connections by Using in situ Laser Lithography on a Perfluoroalkyl-Coated Cultivation Platform

Okano, K., Yu, D., Matsui, A., Maezawa, Y., Hosokawa, Y., Kira, A., Matsubara, M., Liau, I., Tsubokawa, H. & Masuhara, H., 21 3月 2011, 於: ChemBioChem. 12, 5, p. 795-801 7 p.

研究成果: Article › 同行評審

22 引文斯高帕斯（Scopus）

Infrared absorption of methanol clusters (CH₃OH)_n with n = 2-6 recorded with a time-of-flight mass spectrometer using infrared depletion and vacuum-ultraviolet ionization

Han, H. L., Camacho, C., Witek, H. A. & Lee, Y.-P., 14 4月 2011, 於: Journal of Chemical Physics. 134, 14, 144309.

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79 引文斯高帕斯（Scopus）

Overcoming multidrug resistance of breast cancer cells by the micellar doxorubicin nanoparticles of mPEG-PCL-graft-cellulose

Chen, C. H., Cuong, N. V., Chen, Y. T., So, R. C., Liau, I. & Hsieh, M. F., 1月 2011, 於: Journal of Nanoscience and Nanotechnology. 11, 1, p. 53-60 8 p.

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26 引文斯高帕斯（Scopus）

Relative isomer abundance of fullerenes and carbon nanotubes correlates with kinetic stability

Fedorov, A. S., Fedorov, D. A., Kuzubov, A. A., Avramov, P. V., Nishimura, Y., Irle, S. & Witek, H. A., 20 10月 2011, 於: Physical Review Letters. 107, 17, 5 p., 175506.

研究成果: Article › 同行評審

24 引文斯高帕斯（Scopus）

Selective and absolute quantification of endogenous hypochlorous acid with quantum-dot conjugated microbeads

Yang, Y. C., Lu, H. H., Wang, W. T. & Liau, I., 1 11月 2011, 於: Analytical chemistry. 83, 21, p. 8267-8272 6 p.

研究成果: Article › 同行評審

53 引文斯高帕斯（Scopus）

The elusive excited states of bithiophene: A CASPT2 detective story

Andrzejak, M. & Witek, H. A., 5月 2011, 於: Theoretical Chemistry Accounts. 129, 2, p. 161-172 12 p.

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18 引文斯高帕斯（Scopus）

The role of the nπ* ¹A_u state in the photoabsorption and relaxation of pyrazine

Lin, C. K., Niu, Y., Zhu, C., Shuai, Z. & Lin, S. H., 4 11月 2011, 於: Chemistry - An Asian Journal. 6, 11, p. 2977-2985 9 p.

研究成果: Article › 同行評審

15 引文斯高帕斯（Scopus）

Thieno[3,2-b]pyrrolo donor fused with benzothiadiazolo, benzoselenadiazolo and quinoxalino acceptors: Synthesis, characterization, and molecular properties

Cheng, Y.-J., Chen, C. H., Ho, Y. J., Chang, S. W., Witek, H. A. & Hsu, C.-S., 21 10月 2011, 於: Organic Letters. 13, 20, p. 5484-5487 4 p.

研究成果: Article › 同行評審

71 引文斯高帕斯（Scopus）

2010

Convergence in the evolution of nanodiamond raman spectra with particle size: A theoretical investigation

Li, W., Irle, S. & Witek, H. A., 24 8月 2010, 於: ACS Nano. 4, 8, p. 4475-4486 12 p.

研究成果: Article › 同行評審

35 引文斯高帕斯（Scopus）

Interplay between structure and fluidity of model lipid membranes under oxidative attack

Tai, W. Y., Yang, Y. C., Lin, H. J., Huang, C. P., Cheng, Y. L., Chen, M. F., Yen, H. L. & Liau, I., 2 12月 2010, 於: Journal of Physical Chemistry B. 114, 47, p. 15642-15649 8 p.

研究成果: Article › 同行評審

54 引文斯高帕斯（Scopus）

Multireference perturbation theory can predict a false ground state

Camacho, C., Cimiraglia, R. & Witek, H. A., 26 3月 2010, 於: Physical Chemistry Chemical Physics. 12, 19, p. 5058-5060 3 p.

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40 引文斯高帕斯（Scopus）

Spatiotemporal characterization of phagocytic NADPH oxidase and oxidative destruction of intraphagosomal organisms in vivo using autofluorescence imaging and raman microspectroscopy

Chang, W. T., Yang, Y. C., Lu, H. H., Li, I. L. & Liau, I., 2010, 於: Journal of the American Chemical Society. 132, 6, p. 1744-1745 2 p.

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12 引文斯高帕斯（Scopus）

Symmetry forbidden vibronic spectra and internal conversion in benzene

Li, J., Lin, C. K., Li, X. Y., Zhu, C. & Lin, S. H., 7 12月 2010, 於: Physical Chemistry Chemical Physics. 12, 45, p. 14967-14976 10 p.

研究成果: Article › 同行評審

33 引文斯高帕斯（Scopus）

Synthesis and characterization of PEG-PCL-PEG Triblock copolymers as carriers of doxorubicin for the treatment of breast cancer

Cuong, N. V., Hsieh, M. F., Chen, Y. T. & Liau, I., 15 9月 2010, 於: Journal of Applied Polymer Science. 117, 6, p. 3694-3703 10 p.

研究成果: Article › 同行評審

43 引文斯高帕斯（Scopus）

The low-lying states of the scandium dimer

Camacho, C., Witek, H. A. & Cimiraglia, R., 28 6月 2010, 於: Journal of Chemical Physics. 132, 24, 9 p., 244306.

研究成果: Article › 同行評審

32 引文斯高帕斯（Scopus）

2009

Ab initio studies of excited electronic state S ₂ of pyrazine and Franck-Condon simulation of its absorption spectrum

He, R., Zhu, C., Chin, C. H. & Lin, S. H., 7 7月 2009, 於: Chemical Physics Letters. 476, 1-3, p. 19-24 6 p.

研究成果: Article › 同行評審

18 引文斯高帕斯（Scopus）

Analytical semiclassical theory for general non-adiabatic transition and tunneling

Zhu, C., 2009, 於: Physica Scripta. 80, 4, 048114.

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4 引文斯高帕斯（Scopus）

Anharmonic franck-condon simulation of the absorption and fluorescence spectra for the low-lying S₁ and S₂ excited states of pyridine

Wang, H., Zhu, C., Yu, J. G. & Lin, S. H., 31 12月 2009, 於: Journal of Physical Chemistry A. 113, 52, p. 14407-14414 8 p.

研究成果: Article › 同行評審

21 引文斯高帕斯（Scopus）

Assessment of the in vivo toxicity of gold nanoparticles

Chen, Y. S., Hung, Y. C., Liau, I. & Huang, G. S., 2009, 於: Nanoscale Research Letters. 4, 8, p. 858-864 7 p.

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610 引文斯高帕斯（Scopus）

Automatized parametrization of SCC-DFTB repulsive potentials: Application to hydrocarbons

Gaus, M., Chou, C. P., Witek, H. A. & Elstner, M., 29 10月 2009, 於: Journal of Physical Chemistry A. 113, 43, p. 11866-11881 16 p.

研究成果: Article › 同行評審

68 引文斯高帕斯（Scopus）

Formation and identification of interstellar molecule linear C₅H from photolysis of methane dispersed in solid neon

Wu, Y. J., Chen, H. F., Camacho, C., Witek, H. A., Hsu, S. C., Lin, M. Y., Chou, S. L., Ogilvie, J. F. & Cheng, B. M., 20 7月 2009, 於: Astrophysical Journal. 701, 1, p. 8-11 4 p.

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32 引文斯高帕斯（Scopus）

Intruder states in multireference perturbation theory: The ground state of manganese dimer

Camacho, C., Witek, H. A. & Yamamoto, S., 2月 2009, 於: Journal of Computational Chemistry. 30, 3, p. 468-478 11 p.

研究成果: Article › 同行評審

39 引文斯高帕斯（Scopus）

Quantitative assessment of hepatic fat of intact liver tissues with coherent anti-stokes Raman scattering microscopy

Wu, Y. M., Chen, H. C., Chang, W. T., Jhan, J. W., Lin, H. L. & Liau, I., 15 2月 2009, 於: Analytical Chemistry. 81, 4, p. 1496-1504 9 p.

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55 引文斯高帕斯（Scopus）

Real-time molecular assessment on oxidative injury of single cells using Raman spectroscopy

Chang, W. T., Lin, H. L., Chen, H. C., Wu, Y. M., Chen, W. J., Lee, Y. T. & Liau, I., 1 9月 2009, 於: Journal of Raman Spectroscopy. 40, 9, p. 1194-1199 6 p.

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24 引文斯高帕斯（Scopus）

Theoretical treatment of anharmonic effect on molecular absorption, fluorescence spectra, and electron transfer

Zhu, C., Liang, K. K., Hayashi, M. & Lin, S. H., 30 3月 2009, 於: Chemical Physics. 358, 1-2, p. 137-146 10 p.

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34 引文斯高帕斯（Scopus）

2008

Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics

Cheng, S. C., Zhu, C., Liang, K. K., Lin, S. H. & Truhlar, D. G., 2008, 於: Journal of Chemical Physics. 129, 2, 024112.

研究成果: Article › 同行評審

57 引文斯高帕斯（Scopus）

Barrierless reactions between two closed-shell molecules. I. Dynamics of F2 +C H3 SC H3 reaction

Lu, Y. J., Lee, L., Pan, J. W., Xie, T., Witek, H. A. & Lin, J. J., 14 3月 2008, 於: Journal of Chemical Physics. 128, 10, 104317.

研究成果: Article › 同行評審

20 引文斯高帕斯（Scopus）

Choosing a proper complete active space in calculations for transition metal dimers: Ground state of Mn₂ revisited

Camacho, C., Yamamoto, S. & Witek, H. A., 24 6月 2008, 於: Physical Chemistry Chemical Physics. 10, 33, p. 5128-5134 7 p.

研究成果: Article › 同行評審

24 引文斯高帕斯（Scopus）

Rovibronic bands of the Ã ²B₂ ← X̃²B₁ transition of C₆H₅O and C₆D₅O detected with cavity ringdown absorption near 1.2 μm

Cheng, C. W., Witek, H. A. & Lee, Y.-P., 17 10月 2008, 於: Journal of Chemical Physics. 129, 15, 154307.

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15 引文斯高帕斯（Scopus）

Theoretical investigation of molecular properties of the first excited state of the thiophenoxyl radical

Cheng, C. W., Lee, Y.-P. & Witek, H. A., 27 11月 2008, 於: Journal of Physical Chemistry A. 112, 47, p. 11998-12006 9 p.

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11 引文斯高帕斯（Scopus）

Theoretical study of noble-gas containing metal halides

Mou, C. H. & Witek, H. A., 12月 2008, 於: Journal of Chemical Physics. 129, 24, 244310.

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33 引文斯高帕斯（Scopus）

Theoretical study on S₁(¹B_3u) state electronic structure and absorption spectrum of pyrazine

He, R., Zhu, C., Chin, C. H. & Lin, S. H., 5 12月 2008, 於: Science in China, Series B: Chemistry. 51, 12, p. 1166-1173 8 p.

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5 引文斯高帕斯（Scopus）

2007

Comparison of geometric, electronic, and vibrational properties for isomers of small fullerenes C₂₀-C₃₆

Małolepsza, E., Witek, H. A. & Irle, S., 1 7月 2007, 於: Journal of Physical Chemistry A. 111, 29, p. 6649-6657 9 p.

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71 引文斯高帕斯（Scopus）

Computational study of molecular properties of aggregates of C₆₀ and (16, 0) zigzag nanotube

Witek, H. A., Trzaskowski, B., Małolepsza, E., Morokuma, K. & Adamowicz, L., 26 9月 2007, 於: Chemical Physics Letters. 446, 1-3, p. 87-91 5 p.

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12 引文斯高帕斯（Scopus）

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