Hu Wei-Ping Professor

　　

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

　

  

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-

　

 

Research Interests

Molecular Modeling

Quantum Chemical Calculation

Reaction Dynamics Calculation

Computer Assisted Molecular Design Bioinformatics

　

　
Selected Publications 代表著作  [SCOUPS論文統計]

  • 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.

  • 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.

  • 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 (SN2) 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 SN2 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 SN2 Channels," Journal of the American Chemical Society, 1996, 118, 860-869.