Jump to the main content block

Yu, Chin-Hui

Professional Experience:

1998 ~
1990 ~ 1998
1987 ~ 1990

Professor of NTHU
Associate Professor of NTHU
Postdoctoral Research, University of Houston

Research Interest:

Computational Chemistry


1.     K. U. Lao, and C. H. Yu, "A Computational Study of Unique Properties of Pillar[n]quinone: Self-Assembly to Tubular Structures and Potential Applications as Electron Acceptors and Anion Recognizers"J. Comput. Chem., DOI 10.1002/jcc.21853, 2011.

2.     Lankau, and C. H. Yu, "A Quantum Description of the Proton Movement in Idealized NHN+ Hydrogen Bridges"Phys. Chem. Chem. Phys., 2011, 13, 12758-12769.

3.     K. U. Lao, T. Lankau, T. I. Fang, J. W. Zou and C. H. Yu;"Interstitial Water and the Formation of Low Barrier Hydrogen Bonds: A Computational Model Study"Int. J. Quant. Chem., DOI 10.1002/qua.23140, 2011.

4.     T. Lankau, and C. H. Yu, A model study of the efficiency of the Asp-His-Ser TriadJ. Comput. Chem.31, 1853-1859, 2010.

5.     T. Lankau, and C. H. Yu, “Correlated proton motion in hydrogen boned systems: Tuning proton affinity”, Phys. Chem. Chem. Phys.20079, 299-310.

6.     T. Lankau, and C. H. Yu, “The relationship between the bond length and the difference in proton affinities for the observation of heteronuclear low barrier hydrogen bonds”, Chem. Phys. Lett.2007433, 275-278.

7.     T. Lankau, and C. H. Yu, “The relationship between the energy of activation for the proton-movement and the difference in proton affinities of bonded partners in double well hydrogen bonds”, Chem. Phys. Lett.2006424, 264-267.

8.     K. C. Tang, S. J. Lee, S. H. Chi, K. L. Lu, W. C. Chen, C. H. Yu, I. C. Chen, S. L. Wu, C. C. Chen, W. D. Liu, L. J. Chen, N. S. Wang, and W. S. Chung, “Photochemistry and photodissociation of benzosultine and naphthosultine: electronic relaxation of sultines and kinetics and theoretical studies of fragment o-quinodimethanes”, J. Photochem. Phtobiology A2005170, 69-81.

9.     J. W. Zou, W. C. Chen, Che-Lun Kao, and C. H. Yu, “Theoretical Study of the Position of the Transition State for Unimolecular Reactions: An Entropy Model,” Chem. Phys. Lett.2004383, 40-46.

10.   J.-S. K. Yu, J. K. Hwang, C. Y. Tang, and C. H. Yu, “Numerical Performance and Throughput Benchmark for Electronic Structure Calculations in PC-Linux Systems with New Architectures,Updated Compilers and Libraries,” J. Chem. Inf. Comput. Sci.200444, 635-644.

11.   J.-S. K. Yu, W. C. Chen, and C. H. Yu, “The Estimations of Inner-Shell Ionization Energies for Alkyl Halides: A Designated Single-Configuration CASSCF Approach and Advanced Correction,” J. Theo. Comput. Chem.2004.3, 103-115.

12.   J. W. Zou, and C. H. Yu, “Dyotropic rearrangements of dihalogenated hydrocarbons: A density functional theory study,” J. Phys. Chem. A2004,108, 5649-5654.

13.   J.-S. K. Yu and C.-H. Yu, Reply to "Comment on 'Time-Dependent Density Functional Study of Electroluminescent Polymers", J. Phys. Chem. A.2004,108, 9318.

14.   Yu, J.-S. K.; Chen, S. Y. ; Yu, C. H. “Analytical Fittings for the Global Potential Energy Surface of the Ground State of Methylene,” J. Chem. Phys.,2003118, 582-594.(SCI)

15.   Zou, J. W.; Liang, J. M.; Yu, C. H. “Regioselectivity for Condensation Reactions of Qunonoid Models of Tryptophan Tryptophylquinone. A Density Functional Theory Study,” J. Org. Chem.200368, 3626-3633.(SCI)

16.   Chen, W. C.; Zou, J. W.; Yu, C. H. “A Density Functional Study of the Ring Effect on the Myers-Saito Cyclization and a Comparison with the Bergman Cyclization,” J. Org. Chem., 200368, 3663-3672.(SCI)

17.   Yu, J.-S. K.; Chen,W. C.; Yu, C. H. “A Time-Dependent Density Functional Study for the Electroluminescent Polymers,” J. Phys. Chem A, 2003107, 4268-4275.(SCI)

18.   Yu, J.-S. K.; Yu, C. H. “Recent Advances in PC-UNIX Systems for Electronic Structure Calculation by optimized Compilers and Numerical Libraries,” J. Chem. Inf. Comput. Sci.200242, 673-681. (SCI)

19.   Cheng, B. M.; Bahou, M.; Chen, W. C.; Yu, C. H.; Lee, Y. P.; Lee, L. C. “Experimental and Theoretical Studies on Vacuum Ultraviolet Absorption Cross Sections and Photodissociation of CH3OH, CH3OD, CD3OH, and CD3OD,” J. Chem. Phys.2002117, 1633-1640.(SCI)

20.   Cheng, B. M.; Chew, E. P.; Yu, J.-S. K.; Yu, C.-h. "Photoionization study of CH3SCH2Cl formed in the reaction system Cl/Cl2/CH3SCH3," J. Chem. Phys.,2001114, 4817-4823.(SCI)

21.   Kao, Y. T.; Chen, W. C.; Yu, C-h.; Chen, I-C. "Production of HCO from Propenal Photolyzed at 193 nm: Relaxation of Excited States and Distribution of Internal States of Fragment HCO," J. Chem. Phys. 2001114, 8964-8970.(SCI)

22.   Chen, W. C.; Yu, C-h. "The Potential Energy Surface of Excited States by Time-Dpendent Functional Theory: The Reaction of Sulfur Atom and Nitrogen Dioxide," J. Chem. Phys.2001115, 7495-7502.(SCI)

23.   W. C. Chen, N. Y. Chang, and C.-h. Yu, Density Functional Study of Bergman Cyclization of Enediynes, J. Phys.Chem. A, 102, 2584-2593, (1998).

24.   N. Y. Chang, M. Y. Shen, and C.-h. Yu, Extended Ab Initio Studies of Vinylidene-Acetylene Rearrangement, J. Chem. Phys., 106, 3237-3242, (1997).

25.   J.-S. K. Yu and C.-h. Yu, Ab Initio Study of the Decomposition of Formaldehyde, Chem. Phys. Lett., 271, 259-265, (1997).


Click Num: