Date of employment: Aug. 1,1997

Specialty:
Physical Chemistry
Computational Chemistry

TEL (O): (886-5) 272-041 ext. 66402

Email: chewph@ccu.edu.tw

Lab Webpage

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) 272-041 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

                   物化書報討論
              分子模擬微課程

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-

Director, Center of General Education, 2016-2024

Director, Bachelor Program in Interdisciplinary Studies 2022-2024

Director, Center for Science Education 2021-

Professor, Bachelor Program in Interdisciplinary Studies 2022-

學士 國立臺灣大學化學系 學士 (1988)

博士 美國明尼蘇達大學 化學博士 (1995)

美國Scripps研究院 分子生物學系
博士後研究員 (1995/09-1997/08)
研究員            (1995/09-1997/07)

國立中正大學 化學系 助理教授 (1997/08-2001/07)

國立中正大學 化學暨生物化學系 副教授 (2001/08-2006/07)

國立中正大學 化學暨生物化學系 教授 (2006/08- )

國立中正大學 通識教育中心 主任 (2016/02-2024/02)

國立中正大學 紫荊不分系學士學位學程 主任 (2022/08-2024/02)

國立中正大學 科學教育中心 主任 (2021- )

國立中正大學 紫荊不分系學士學位學程 教授 (2022/08- )

Research Interests

Molecular Modeling

Quantum Chemical Calculation

Reaction Dynamics Calculation

Computer Assisted Molecular Design Bioinformatics

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

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• Yu-Ju Chiang, Wan-Chou Huang, Chou-Hsun Han, Chen-Lin Liu*, Cheng-Cheng Tsai, and Wei-Ping Hu* (2024) Near-edge X-ray Absorption Fine Structure Spectra and Specific Dissociation of Small Peptoid Molecules. The Journal of Chemical Physics, 160, 074305.
• Rubén Meana-Pañeda, Jingjing Zheng, Junwei Lucas Bao, Shuxia Zhang, Benjamin J. Lynch , José C. Corchado, Yao-Yuan Chuang, Patton L. Fast, Wei-Ping Hu, Yi-Ping Liu, Gillian C. Lynch, Kiet A. Nguyen, Charles F. Jackels, Antonio Fernández-Ramos, Benjamin A. Ellingson, Vasilios S. Melissas, Jordi Villà, Ivan Rossi, Elena L. Coitiño, Jingzhi Pu, Titus V. Albu, Rui Ming Zhang, Xuefei Xu, Artur Ratkiewicz, Rozeanne Steckler, Bruce C. Garrett, Alan D. Isaacson, Donald G. Truhlar* (2024) Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement. Computer Physics Communications, 294, 108933.
• Ruiyang Xiao, Yunxiang Meng, Yifu Fu, Stanisław Wacławek, Zongsu Wei, Richard Spinney, Dionysios D. Dionysiou, Weizhi Zeng*, Wei-Ping Hu* (2023) The overlooked carbonate radical in micropollutant degradation: An insight into hydration interaction. Chemical Engineering Journal, 474, 145245.
• Jhih-Hong Huang, Fuyi Zhang, Yan-Pin Shi, Jia-Rong Cai, Yu-Hsuan Chuang, Wei-Ping Hu, Yin-Yu Lee,and Chia C. Wang* (2023) Water Plays Multifunctional Roles in the Intervening Formation of Secondary Organic Aerosols in Ozonolysis of Limonene: A Valence Photoelectron Spectroscopy and Density Functional Theory Study. J. Phys. Chem. Lett, 14, 3765−3776.
• Zonghao Luo, Richard Spinney, Zongsu Wei, Wei-Ping Hu, Frederick A. Villamena, Weihua Song, Dionysios D. Dionysiou, and Ruiyang Xiao*(2021) Reevaluation of the Reactivity of Superoxide Radicals with a Sulfonamide Antibiotic, Sulfacetamide: An Experimental and Theoretical Study. ACS EST Water, 1, 2339-2347.
• Wei-Te Lin, Ya-Jyun Shih, Tzu-Jeng Hsu, and Wei-Ping Hu,* (2021) Noble Gas in a Ring. Molecules, 26, 4677.
• Zonghao Luo, Ming-Yu Tseng, Daisuke Minakata, Lu Bai, Wei‒Ping Hu, Weihua Song, Zongsu Wei, Richard Spinney, Dionysios D.  Dionysiou, and Ruiyang Xiao*(2021) Mechanistic insight into superoxide radical-mediated degradation of carbon tetrachloride in aqueous solution: An in situ spectroscopic and computational study. Chemical Engineering Journal, 410, 128181.
• Cheng-Cheng Tsai, Yu-Wei Lu and Wei-Ping Hu* (2020) Theoretical Prediction on the New Types of Noble Gas Containing Anions OBONgO⁻ and OCNNgO⁻(Ng = He, Ar, Kr and Xe). Molecules 25, 5839.

• Cheng-Cheng Tsai, Zhi-Yao Tsai, Ming-Yu Tseng, Wei-Ping Hu* (2020) A new database and benchmark of the bond energies of noble-gas-containing molecules. Int. J Quantum Chem. 120, e26238

• Arnab Bagchi, Youqing Yu, Jhih-Hong Huang, Cheng-Cheng Tsai, Wei-Ping Hu* and Chia C. Wang* (2020) Evidence and evolution of Criegee intermediates,hydroperoxides and secondary organic aerosols formed via ozonolysis of a-pinene. Phys. Chem. Chem. Phys. 22, 6528.
• Ruiyang Xiao, Junye Ma, Zonghao Luo, Weizhi Zeng , Zongsu Wei, Richard Spinney, Wei-Ping Hu, Dionysios D. Dionysiou (2020) Experimental and theoretical insight into hydroxyl and sulfate radicals-mediated degradation of carbamazepine. Environmental Pollution 257, 113498.
• Yu-Ju Chiang, Wan-Chou Huang, Chi-Kung Ni, Chen-Lin Liu, Cheng-Cheng Tsai, and Wei-Ping Hu* (2019) NEXAFS spectra and specific dissociation of oligo-peptide model molecules. AIP Advances 9, 085023.
• Shuang Luo, Lingwei Gao, Zongsu Wei,  Richard Spinney,  Dionysios D. Dionysiou, Wei-Ping Hu, Liyuan Chai,  Ruiyang Xiao* (2018) Kinetic and mechanistic aspects of hydroxyl radical‒mediated degradation of naproxen and reaction intermediates. Water Research 137,  233-241.

• Shuang Luo, Zongsu Wei, Dionysios D. Dionysiou, Richard Spinney, Wei-Ping Hu, Liyuan Chai, Zhihui Yang, Tiantian Ye, Ruiyang Xiao* (2017)  Mechanistic insight into reactivity of sulfate radical with aromatic contaminants through single-electron transfer pathway. Chem. Eng. J. 327, 1056-1065.

• Yi-Ting Chen, Pei-Jhen Wu, Chia-Yu Peng, Jiun-Yi Shen, Cheng-Cheng Tsai, Wei-Ping Hu*, and Pi-Tai Chou* (2017) A study of the competitive multiple hydrogen bonding effect and its associated excited-state proton transfer tautomerism. Phys. Chem. Chem. Phys. 19, 28641-28646.

• Jien-Lian Chen, Hock Seng Nguan, Po-Jen Hsu, Shang-Ting Tsai, Chia Yen Liew, Jer-Lai Kuo, Wei-Ping Hu, and Chi-Kung Ni* (2017) Collision-induced dissociation of sodiated glucose and identification of anomeric configuration. Phys. Chem. Chem. Phys. 19, 15454-15462.

• 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.
  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.

• 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.

• 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.

• 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.
• 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.
• 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.
• 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.
• Wan-Chen Tsai and Wei-Ping Hu (2013), Theoretical Analysis on the Kinetic Isotope Effects of Bimolecular Nucleophilic Substitution (S_N2) Reactions and Their Temperature Dependence, Molecules, 18, 4816-4843.
• 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.
• 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.
• Jien-Lian Chen and Wei-Ping Hu (2012), Theoretical Study on the Gas-Phase S_N2 Reaction of Microhydrated Fluoride with Methyl Fluoride, Journal of the Chinese Chemical Society, accepted, 59, 1401-1408.
• 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.
• 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
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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.
• 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
• 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 S_N2 Channels," Journal of the American Chemical Society, 1996, 118, 860-869.