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胡維平 教授
Hu,
Wei-Ping Professor |
Date of employment:
Aug. 1,1997
Specialty:
Physical Chemistry, Computational Chemistry
TEL (O):
(886-5) 272-0411
ext. 66402
Email:chewph@ccu.edu.tw
Lab Webpage
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到校日期:86年8月1日
專長領域:物理化學、計算化學
聯絡電話:(05)
272-0411 ext. 66402
電子信箱:chewph@ccu.edu.tw
研究室:Rm 412
實驗室網頁
課程網頁:化學數學
物理化學
計算化學
從原子到宇宙
分子模擬微課程
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B.S. in
Chemistry,
National Taiwan University, 1988
Ph.D. in
Chemistry,
University of Minnesota, 1995
Postdoc Researcher, The Scripps Research Institute, 1995-1997
Assis Professor,
National Chung Cheng University, 1997-2001
Asso Professor,
National Chung Cheng University, 2001-2006
Professor, National Chung Cheng University, 2006-
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學士 國立臺灣大學化學系理學士
(1988)
博士 美國明尼蘇達大學化學系博士
(1995)
斯克普斯研究院博士後研究員
(1995-1997)
國立中正大學化學系助理教授
(1997-2001)
國立中正大學化學系副教授
(2001-2002)
國立中正大學化生系副教授
(2002-2006)
國立中正大學化生系教授
(2006-) |
Research Interests
Molecular
Modeling
Quantum
Chemical Calculation
Reaction
Dynamics Calculation
Computer
Assisted Molecular Design
Bioinformatics
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研究重點
化學分子模擬
量子化學計算
化學反應動力學計算
電腦輔助分子設計 |
Selected
Publications 代表著作 [SCOUPS論文統計]
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Luo, S.; Wei, Z.; Dionysiou, D. D.; Spinney, R.; Hu, W.-P.;
Chai, L.; Yang, Z.; Ye, T.; Xiao, R., Mechanistic insight
into reactivity of sulfate radical with aromatic
contaminants through single-electron transfer pathway.
Chem. Eng. J.
2017, 327, 1056-1065.
-
Chen, Y.-T.; Wu, P.-J.; Peng, C.-Y.; Shen, J.-Y.; Tsai,
C.-C.; Hu, W.-P.; Chou, P.-T., A study of the competitive
multiple hydrogen bonding effect and its associated
excited-state proton transfer tautomerism.
Phys. Chem. Chem. Phys. 2017,
19, 28641-28646.
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Chen, J.-L.; Nguan, H. S.; Hsu, P.-J.; Tsai, S.-T.; Liew, C.
Y.; Kuo, J.-L.; Hu, W.-P.; Ni, C.-K., Collision-induced
dissociation of sodiated glucose and identification of
anomeric configuration.
Phys. Chem. Chem.
Phys. 2017,
19, 15454-15462.
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Jien-Lian Chen, Chuping Lee, I-Chung Lu, Chia-Lung Chien,
Yuan-Tseh Lee, Wei-Ping Hu, and Chi-Kung Ni (2016)
Theoretical investigation of low detection sensitivity for
underivatized carbohydrates in ESI and MALDI. J.
Mass Spectrom. 12,
1180-1186.
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Cheng-Cheng Tsai, Jien-Lian Chen, Wei-Ping Hu*, Yi-Shiue
Lin, Huei-Ru Lin, Tsai-Yun Lee, Yuan T. Lee, Chi-Kung Ni,
Chen-Lin Liu* (2016) Selectivity of Peptide Bond
Dissociation on Excitation of a Core Electron: Effects of a
Phenyl Group. Chem.
Phys. Lett. 660,
60-68.
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Cheng-Cheng Tsai, Po-Chun Liu, and Wei-Ping Hu* (2016)
Theoretical Study on the Noble Gas Exchange Reactions of Ng
+ HNBNg′+ →
Ng′ + HNBNg+ (Ng,
Ng ′ = He, Ne, Ar, Kr, and Xe), J.
Phys. Chem. B, 120,
1780−1787.
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Chia-Yu Peng, Jiun-Yi Shen, Yi-Ting Chen, Pei-Jhen Wu,
Wen-Yi Hung, Wei-Ping Hu*, and Pi-Tai Chou* (2015) Optically
Triggered Stepwise Double-Proton Transfer in an
Intramolecular Proton Relay: A Case Study of
1,8-Dihydroxy-2-naphthaldehyde, J. Am. Chem. Soc.
137, 14349−14357.
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Ruiyang Xiao, Ian Zammit, Zongsu Wei, Wei-Ping Hu, Matthew
MacLeod,and Richard Spinney (2015) Kinetics and Mechanism of
the Oxidation of Cyclic Methylsiloxanes by Hydroxyl Radical
in the Gas Phase: An Experimental and Theoretical Study, Environ.
Sci. Technol. 49,
13322−13330.
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Yi-Shiue Lin, Huei-Ru Lin, Wei-Lun Liu, Yuan T. Lee, Chien-Ming
Tseng, Chi-Kung Ni, Chen-Lin Liu, Cheng-Cheng Tsai,
Jien-Lian Chen, Wei-Ping Hu
(2015),
Measurement and prediction of the NEXAFS spectra of
pyrimidine and purine and the dissociation following the
core excitation,
Chemical Physics Letters,
636,
146–153.
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Yi-Shiue Lin, Cheng-Cheng Tsai, Huei-Ru Lin, Tsung-Lin
Hsieh, Jien-Lian Chen, Wei-Ping Hu, Chi-Kung Ni, and
Chen-Lin Liu
(2015),
Highly Selective Dissociation of a Peptide Bond Following
Excitation of Core Electrons,
Journal of the Physical Chemistry A,
119,
6195−6202.
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Po-Chun Liu and Wei-Ping Hu
(2014),
The MC-DFT Approach Including
the SCS-MP2 Energies to the New Minnesota-Type Functionals,
Journal of Computational Chemistry,
35,1560–1567.
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Wan-Chen Tsai and Wei-Ping Hu
(2013),
Theoretical Analysis on the
Kinetic Isotope Effects of Bimolecular Nucleophilic
Substitution (SN2) Reactions and Their Temperature
Dependence,
Molecules,
18,
4816-4843.
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Jien-Lian Chen, Chang-Yu Yang, Hsiao-Jing Lin and Wei-Ping
Hu
(2013),
Theoretical prediction of new noble-gas molecules FNgBNR (Ng
= Ar, Kr, and Xe; R = H, CH3, CCH, CHCH2,
F, and OH)†,
Physical Chemistry Chemical Physics,
15,
9701--9709.
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Chia-Yu Peng, Chang-Yu Yang, Yi-Lun Sun, and Wei-Ping Hu
(2012),
Theoretical prediction on the
structures and stability of the noble-gas containing anions
FNgCC− (Ng=He, Ar, Kr, and Xe),
Journal of Chemical Physics,
137,
194303.
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Jien-Lian Chen and Wei-Ping Hu
(2012),
Theoretical Study on the Gas-Phase SN2 Reaction of Microhydrated Fluoride with Methyl Fluoride,
Journal of the Chinese Chemical Society, accepted,
59,
1401-1408.
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Yuri A. Dyakov, Wen Hsin Hsu, Chi-Kung Ni, Wan-Chen Tsai,
and Wei-Ping Hu
(2012),Photodissociation
dynamics of benzyl alcohol at 193 nm,
Journal of Chemical Physics,137,
064314.
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Jien-Lian Chen and
Wei-Ping Hu (2011), Theoretical Prediction on the Thermal
Stability of Cyclic Ozone and Strong Oxygen Tunneling, Journal
of the American Chemical Society, 133,
16045-16053
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Tai-Yuan Lai, Chun-Yu
Yang, Hsiao-Jing Lin, Chang-Yu Yang, and Wei-Ping Hu (2011),
Benchmark of DFT Methods on the Prediction of Bond Energies
and Bond Distances of Noble-Gas Containing Molecules, The
Journal of Chemical Physics, 134,
244110.
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Chun-Cheng Chou, Kuan-Lin Wu,
Yun Chi, Wei-Ping Hu, Shuchun Joyce Yu, Gene-Hsiang Lee,
Chia-Li Lin, and Pi-Tai Chou (2011), Ruthenium(II)
Sensitizers with Heteroleptic Tridentate Chelates for
Dye-Sensitized Solar Cells, Angewandte
Chemie International Edition, 50, 2054.
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Jun-Mei Chao, Keng Seng Tham, Guiqiu Zhang, A.J. Merer,
Yen-Chu Hsu, Wei-Ping Hu (2011), The C3-bending vibrational
levels of the C3–Kr and C3–Xe van der Waals complexes
studied by their A-X electronic
transitions and by ab
initio calculations, The
Journal of Chemical Physics, 134,
074313.
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Yi Lin Yang, Yuri Dyakov, Y. T.
Lee, Chi-Kung Ni, Yi-Lun Sun, Wei-Ping Hu (2011)
Photodissociation dynamics of hydroxybenzoic acids, The
Journal of Chemical Physics, 134,
034314.
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Yi-Lun Sun, Jie-Ting
Hong, Wei-Ping Hu
(2010), Theoretical Prediction of Stable Noble-Gas Anions
XeNO2- and
XeNO3- with
very Short Xenon-Nitrogen Bond Lengths, Journal
of the Physical Chemistry A, 114,
9359-9367.
- Wei-Ping Hu, Jien-Lian Chen,
Cheng-Chih Hsieh, Pi-Tai Chou (2010), Theoretical study on
the double proton transfer in a hetero-hydrogen-bonded dimer
of 11-propyl-6H-indolo-[2,3-b]quinoline (6HIQ) and
7-azaindole (7AI),
Chemical
Physics Letters, 485,
226-230.
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Yi-Lun Sun, Tsung-Hui Li, Jien-Lian Chen,
Wei-Ping Hu (2009), Accurate multi-coefficient electronic
structure methods MLSE(Cn)-DFT for thermochemical kinetics,
Chemical Physics Letters,
475, 141-145.
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Jien-Lian Chen, Jie-Ting Hong, Kuo-Jui Wu,
Wei-Ping Hu (2009), The MC-DFT approach to the M06-2X,
B2K-PLYP, and B2T-PLYP functionals,
Chemical
Physics Letters,
468, 307-312.
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Jien-Lian Chen, Yi-Lun Sun, Kuo-Jui Wu,
Wei-Ping Hu
(2008),
Multi-Coefficient Density Functional Theory,
Journal of the Physical Chemistry A,
112, 1064-1070.
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Chin-Yuan Chang, Lai-Kwan Chau, Wei-Ping Hu,
Chiou-Yann Wang, Ju-Hsiou Liao (2008) Nickel
hexacyanoferrate multilayers on functionalized mesoporous
silica supports for selective sorption and sensing of
cesium, Microporous and
Mesoporous Materials
109, 505–512.
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Yi-Lun Sun, Tsung-Hui Li, Jien-Lian Chen,
Kuo-Jui Wu, Wei-Ping Hu
(2007)
Accurate Multi-Level Electronic Structure Methods (MLSE-DFT)
for Atomization Energies and Reaction Energy Barriers,
Chemical Physics Letters,
442, 220-223.
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Ya-Lin Liu,
Yi-Hong Chang, Tsung-Hui Li, Hui-Ru Chen, Wei-Ping Hu (2007)
Theoretical study on the noble-gas anions F-(NgO)n
(Ng = He, Ar, and Kr),
Chemical
Physics Letters,
439, 14-17.
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Tsung-Hui Lee, Ya-Lin Liu,
Ren-Jie Lin, Tai-Yan Yeh, Wei-Ping Hu (2007) On the Stability of Noble Gas
Molecules,
Chemical Physics Letters,
434, 38-41.
- Yi-Ming Cheng, Shih-Chieh Pu, Yueh-Chi Yu,
Pi-Tai Chou, Chien-Huang Huang, Chao-Tsen Chen, Tsung-Huei Li, and Wei-Ping
Hu (2005) Spectroscopy and Femtosecond Dynamics of
7-N,N-Diethylamino-3-hydroxyflavone. The Correlation of Dipole Moments among
Various States To Rationalize the Excited-State Proton Transfer Reaction,
J. Phys. Chem. A,
109, 11696-11706.
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Yung-Lung Chen, Chun-Huei
Huang, and Wei-Ping Hu (2005) Theoretical
Study on the Small Clusters of LiH, NaH, BeH2, and MgH2,
J. Phys. Chem. A, 109, 9627-9636.
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Tsung-Hui Lee, Hui-Ru Chen, and
Wei-Ping Hu (2005) Improved
Multi-Level Electronic Structure Methods (MLSEn+d) for Atomization
Energies and Reaction Energy Barriers.
Chemical Physics
Letters,
412, 430-433.
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Tsung-Hui Li, Chun-Hao Mou, Hui-Ru Chen, and Wei-Ping Hu (2005) Theoretical
Prediction of Noble-Gas Containing Anions FNgO- (Ng
= He, Ar, and Kr).
Journal of the American Chemical Society
127, 9241-9245.
- Pi-Tai Chou, Shih-Chieh Pu, Yi-Ming Cheng,
Wei-Shan Yu, Yueh-Chi Yu, Fa-Tsai Hung, and Wei-Ping Hu (2005) Femtosecond
Dynamics on Excited-State Proton/Charge Transfer Reaction in 4』-N,N-Diethylamino-3-Hydroxyflavone.
The Role of Dipolar Vectors in Constructing a Rational Mechanism. Journal
of the Physical Chemistry A, 109, 3777-3787.
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Tsun-Yi Lin, Jeng-Bin Hsu, and
Wei-Ping Hu (2005)
Theoretical Prediction of New Noble-Gas Molecules OBNgF (Ng = Ar, Kr, and Xe).
Chemical Physics Letters,
402, 514-518.
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Tsung-Hui Lee, Chun-Hao Mou, and
Wei-Ping Hu (2004) New Efficient Multi-Level Electronic Structure Methods (MLSEn)
for Atomization Energies and Reaction Energy Barriers.
Chemical
Physics Letters,
397, 364-367
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Huang, C.-H.; Tsai, L.-C.and Hu, W. P. "Dual-Level Direct Dynamics
Study on the Diels-Alder Reaction of Ethylene" Journal of the Physical
Chemistry A, 2001, 105, 9945-9953.
- Hung, F.-T.; Hu, W. P.and Chou P. T. "The Ground and Excited State
Carboxylic Acids Catalyzed Proton (Hydrogen Atom) Transfer Energy Surface
in 3-Formyl-7-Azaindole" Journal of the Physical Chemistry A,
2001, 105,10475-10482.
- Hu, W. P. and Huang, C.-H. "The Intrinsic
Stability of the Noble Gas-Coordinated Transition-Metal Complex Ions", Journal
of the American Chemical Society, 2001, 123, 2340-2343.
- Lien, P.-Y.; You, R-.M.and Hu, W. P.
"Theoretical Modeling of the Hydrogen Abstraction Reaction of Fluoromethane
by the Hydroxyl Radical", Journal of Physical Chemistry A, 2001,
105, 2391-2400.
- Huang, C.-H.; You, R.-M.; Lian, P.-Y.
and Hu, W. P. "Improved Interpolated Correction Schemes for Dual-Level Direct
Dynamics Calculation", Journal of Physical Chemistry A, 2000,
104, 7200-7208.
- Wu, Y.-R. and Hu, W. P. "Reaction Dynamics
Study on the Tunneling Effects of a Microsolvated E2 Reaction FO-(H2O)
+ C2H5Cl -> HOF(H2O) + C2H4
+ Cl-", Journal of the American Chemical Society, 1999,
121, 10168-10177.
- Hu, W. P.; Rossi, I; Corchado, J. and
Truhlar,D. G. "Molecular Modeling of Combustion Kinetics. The Abstraction
of Primary and Secondary Hydrogens by Hydroxyl Radical", Journal of Physical
Chemistry A, 1997, 101, 6911-6921.
- Hu, W. P.; Kolinski, A. and Skolnick,
J. "Improved Method for Prediction of Protein Backbone "U"-turn Positions
and Major Secondary Structural Elements between "U"-turns", Proteins,
1997, 29, 443.
- Hu, W. P.and Truhlar, D. G. "Factors
Affecting Competitive Ion-Molecule Reactions: ClO- + C2H5Cl
and C2D5Cl via E2 and SN2 Channels," Journal
of the American Chemical Society, 1996, 118, 860-869.
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