Hsiu-Yao Cheng

Hsiu-Yao Cheng

Email : hycheng@thu.edu.tw
介绍 : 鄭秀瑤 教授 分機: 32214

 

 

學歷

 

美國匹茲堡大學 博士

 

經歷

 

美國加州大學洛杉磯分校(UCLA)化學系 訪問學者 (1995/09-1996/06)
東海大學化學系 教授 (1993/08-迄今)
東海大學化學系 副教授 (1988/08-1993/07)
清華大學化學系 研究助理 (1982/06-1983/05)
 

 

專長

 

理論計算化學

期刊

1. K.-J. Chao, B.-H. Chiou, C.-C. Cho, and S.-Y. Jeng, "Temperature-Programmed Desorption Studies on ZSM-5 Zeolites", ZEOLITES  4 (1984) 2.  

2. J. S.-Y. Chao and K.D. Jordan, "Use of Xα Method for the Characterization of Temporary Negative Ions", J. Phys. Chem. 91 (1987) 5578.   

3. J. S.-Y. Chao, M. Falcetta, and K.D. Jordan, "Application of the Stabilization  Method to the N2- (12Πg) and Mg-(12P) Temporary Anions" J. Chem. Phys. 93 (1990) 1125. 

4. J. S.-Y. Chao, "Stabilization/Analytic Continuation Procedure of Calculating Resonance Energies: Model Problem", Chem. Phys. Lett. 179 (1991) 169.  

5. Y-J Lu and J. S.-Y. Chao, "Application of the Xα and PM3 Methods to Chloromethanes: Ionization Potentials and Electron Affinities", J. Chin. Chem. Soc. 39 (1992) 7. 

6. L. Yu and J. S.-Y. Chao, "Application of Analytic Continuations to Avoided Crossings", J. Chin. Chem. Soc. 40 (1993) 12. 

7. J. S.-Y. Chao, "Sensitivity Analysis of the Scattering Wavefunctions for a Model Potential via the Stabilization Method", J. Phys. Chem. 97 (1993) 4016-4022.  

8. C.-Y. Juang and J. S.-Y. Chao, "Splitting Energies of π* Anion States of 1,4-cyclohexadiene via the exponent Stabilization Method", J. Phys. Chem. 98 (1994) 13506.  

9. C.-S. Chen, T.-H. Feng, and J. S.-Y. Chao, "Stabilized Koopmans' Theorem Calculations on the π* Temporary Anion States of Benzene and Substituted Benzenes", J. Phys. Chem. 99 (1995) 8629.  

10. A. J.R. da Silva, H.-Y. Cheng, D. A. Gibson, K. L. Sorge, Z. Liu, and E. A. Carter, "Limitaions of ab initio molecular dynamic simulations of simple reactions: F + H2 as a prototype", Spectrochimica Acta A 53 (1997) 1285. 

11. Y.-H. Wei and H.-Y. Cheng, "Stabilized Koopmans' Theorem Calculations on the π* Anion States of 1,4,5,8-Tetrahydronaphthalene", J. Phys. Chem. A, 102 (1998) 3560-3564.  

12. H.-Y. Cheng, E. Yang, C.-J. Lai, K.-L. Chao, A.-C. Wei, and J. F. Lee, “Density Functional Theory Calculation and X-ray Absorption Spectroscopy Studies of Structure of Vanadium-Containing Aluminophosphate VAPO-5”, J. Phys. Chem. B 104 (2000) 4195-4203. 

13. H.-Y. Cheng, E. Yang, K.-J. Chao, A. C. Wei, and P. H. Liu, “Studies of the Structure of Vanadium Species in VAPO-5 Molecular Sieves via Density Functional Theory Computation and Raman Spectroscopy”, J. Phys. Chem. B 104 (2000) 10293-10297. 

14. A.-C. Wei, P.-H. Liu, K.-J. Chao, E. Yang, and H.-Y. Cheng, “X-ray Absorption Measurement and Density Functional Theory Analysis of Gallium-Containing Beta Zeolites”, Micro. Mater. 47 (2001) 147-156. 

15. H.-Y. Cheng and S. Chang, "Characterization of internal rotation of monorotor molecules via bifurcation analysis", Chem. Phys. Lett. 373 (2003) 62-66.

16. H.-Y. Cheng, C.-J. Lai, and S. Chang, "Bifurcation Analysis of the Trans  <->  Cis Rotation of Monorotor Molecules", J. Chin. Chem. Soc. 50 (2003) 557. 

17. H.-Y. Cheng, S. Chang, and P.-Y. Tsai, "On the "Brown-Ring" Reaction Product via Density Functional Theory", J. Phys. Chem. A  108 (2004) 358. 

18. H.-Y. Cheng and S. Chang, "On the [Fe(H2O)5XO]2+ (X = C, N, O) Complex Ions via Density Functional Theory", J. Mol. Struct.: TheoChem. 724 (2005) 209. 

19. H.-Y. Cheng and S. Chang, "Study of the [Cr(H2O)5NO]2+ Complex via Density Functional Theory", J. Chin. Chem. Soc. 52 (2005) 415. 

20. H.-Y. Cheng and S. Chang, "Density Functional Theory of the Iron-Nitrosyl (S = 3/2) Complex ", Int. J. Quantum Chem. 105(2005) 511. 

21. H.-Y. Cheng,  S. Chang, and W.-C. Liao, "Studies of the [Cr(CN)5NO]3- and [Cr(NH3)5NO]2+ complex ions via density functional theory ", J. Mol. Struct.: TheoChem. 776 (2006) 77. 

22. H. Kung, L.-C. Lee, S.-M. Wu, H.-Y. Cheng, and C. M. Chiang, "Sluggish sigma Bond Formation between sp-Hybridized Carbons: Acetylide Coupling on Ag(111)", J. Am. Chem. Soc. (communication) 129 (2007) 1028. 

23. Y.-P. Wang, H.-L. Leu, Y. Wang, H.-Y. Cheng, and T.-S. Lin, "Cyclopentadienyl chromium complexes with halide, methyl, isothiocyanate and isoselenocyanate ligands: Structures of [η5-(C5H4-COOCH3)]Cr(NO)2(Br) and [η5-(C5H4-COOCH3)]Cr(NO)2(N=C=S)", J. Organomet. Chem. 692 ( 2007) 3340-3350.   

24. H.-Y. Cheng and J-T Chang, "Study on Chromium-Containing Aluminophosphate CrAPO-5 via Density Functional Theory", J. Chin. Chem. Soc. 55(1) (2008) 29-38. 

25. Y.-P. Wang, S.-R. Pang, H.-Y. Cheng,  T.-S. Lin, Y. Wang, and G.-H. Lee, "Syntheses and spectra of chromium-titanium complexes bridged by carboxylate substituted cyclopentadienyl group. The structure of Cp2Ti(CH3){[OC(O)C5H4]Cr(NO)2(Cl)}", J. Organomet. Chem.  693 (2008) 329-337. 

26. Y.-P. Wang, H.-L. Leu, H.-Y. Cheng,  T.-S. Lin, Y. Wang, and G.-H. Lee, "Cyclopentadienyl chromium and tungsten complexes with halide, methyl and σ-phenylethynyl ligands:  Structures of (η5-C5H5)Cr(NO)2(-C≡C-C6H5), (η5-C5H5)Cr(NO)2I and [(η5-C5H4)-COOCH3]W(CO)3Cl", J. Organomet. Chem. 693(2008) 2615-2623.  

27. S. Chang, W.-L. Chao, M.-J. Chiang, S.-J. Li, Y.-T. Lu, C.-M. Ma, H.-Y. Cheng, and S. H. Hsieh, "Effects of Acupuncture at Neiguan (PC 6) of the Pericardial Meridian on Blood Pressure and Heart Rate Variability", Chin. J. Physiol. 51(3) (2008) 167-177. 

28. S. Chang, M.-C. Hsyu, H.-Y. Cheng, S.- H. Hsieh, and C.-C. Lin, "Synergic Co-activation in Forearm Pronation", Annals of Biomedical Engineering  36(12) (2008) 2002-2018. 

29. S. Chang, M.-C. Hsyu, H.-Y. Cheng, and S.- H. Hsieh, "Synergic Co-activation of Muscles in Elbow Flexion via Fractional Brownian Motion", Chin. J. Physiol.51(6) (2008) 376-386.  

30. Y.-P. Wang, Pauling Wu, H.-Y. Cheng, T.-S. Lin, and  S.-L. Wan, "Unequivocal assignments of C(2,5) and C(3,4) on the Cp ring of cynichrodene derivatives bearing an electron-donating substituent in 13C NMR spectra and X-ray structures of (CO)2(NO)Cr[(η5-C5H4)-C(O)-(η5-C5H4)]Ru(η5-C5H5) and (CO)2(NO)Cr[(η5-C5H4)-CH2-(η5-C5H4)]Ru(η5-C5H5)", J. Organomet. Chem. 694 (2009) 285-296.    

31. S. Chang, Z.-G. Chang, S.-J. Li, M.-J. Chiang, C.-C. Ma, H.-Y. Cheng, and S.- H. Hsieh, "Effects of Acupuncture at Neiguan (PC 6) on Electroencephalogram", Chin J Physiol. 52(1) (2009) 1-7.  

32. S. Chang, M.-J. Chiang, S.-J. Li, S.-J. Hu, H.-Y. Cheng,  S.- H. Hsieh, and C.-L. Cheng, "The Cooperative Phenomenon of Autonomic Nervous System in Urine Storage for Wistar Rats", Chin. J. Physiol. 52(2) (2009) 72-80. 

33. S. Chang, S.-J. Li, S.-J. Hu, H.-Y. Cheng,  S.- H. Hsieh, and C.-Li Cheng, "Dynamic Performance Evaluation on the Synergy of Micturition in Spinal Cord-Injured Female Rats under Pharmacological Effects", Chin. J. Physiol. 52(2) (2009) 81-92. 

34. H.-Y. Cheng and C.-C. Shih,"Application of the Stabilization Method to the π* Temporary Anion States of Benzene and Substituted Benzenes in Density Functional Theory ", J. Phys. Chem. A 113(8) (2009) 1548-1554. 

35. H.-Y. Cheng, C.-C. Shih, and J.-T. Chang, "Temporary Anion States of Ferrocene and Dibenzene Chromium Using Stabilization Method in Density Functional Theory", J. Phys. Chem. A, 113 (2009) 9551-9558.  

36. H.-Y. Cheng, J.-T. Chang, and C.-C. Shih, "Application of the Stabilization Method to Temporary Anion States of π-Ligand Transition-Metal Carbonyls in Density Functional Theory", J. Phys. Chem. A, 114(8) (2010) 2920-2929.  

37. H.-Y. Cheng, C.-W. Chen, J.-T. Chang, and C.-C. Shih, " Application of the Stabilization Method to Temporary Anion States of CH3CN, CH3NC, CH3SCN, and CH3NCS in Density Functional Theory with Asymptotically Corrected Potentials ", J. Phys. Chem. A, 115(1) (2011) 84-93. 

38. H.-Y. Cheng and C. W. Chen, "Energy and Lifetime of Temporary Anion States of Uracil by Stabilization Method", J. Phys. Chem. A, 115(1) (2011) 10113-10121. 

39. H.-Y. Cheng, C.-W. Chen, and C.-H. Huang, "Characterization of the Temporary Anion States on Perfluoroalkanes via Stabilized Koopmans’ Theorem in Long-Range Corrected Density Functional Theory", J. Phys. Chem. A, 116(12) (2012) 3224-3236. 

40. H.-Y. Cheng and C. W. Chen, "Energies and Lifetimes of Temporary Anion States of Chloromethanes by Stabilized Koopmans’ Theorem in Long-Range Corrected Density Functional Theory", J. Phys. Chem. A, 116(50) (2012) 12364-12372.  

41. Y.-P. Wang, C.-T. Lin, H.-Y. Cheng, and T.-S. Lin, "Unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring ofdicarbonyl(η5-cyclopentadienyl)nitrosylchromium, dicarbonyl(η5-cyclopentadienyl)cobalt, and tricarbonyl(η5-cyclopentadienyl)methyltungsten derivativesbearing an electron-withdrawing carbonyl substituent in 13C NMR spectra", Inorg Chim Acta. 394 (2013) 337-347. 

42. Y.-P. Wang, W.-D. Tang, H.-Y. Cheng, and T.-S. Lin, “Crystal structure of (CO)3(CH3)Mo[(η5-C5H4)C(CH3)]NeN]C(CH3) (η5-C5H4)]Mo(CO)3(CH3) and unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of cynichrodene, tricarbonyl(η5-cyclopentadienyl)methylmolybdenum, tricarbonyl(η5-cyclopentadienyl)methyltungsten, ferrocene, and dicarbonyl(η5-cyclopentadienyl)cobalt derivatives bearing an electron-withdrawing carbonyl substituent in 13C NMR spectra”, J. Organomet. Chem. 729 (2013) 68-80.  

43. Y.-P. Wang, W.-D. Tang, X.-H. Lui, H.-Y. Cheng, and T.-S. Lin, “Crystal structure of (CO)2(NO)Cr{η5-C5H4C(CH3)=NNH[2,4-(NO2)2C6H3]} and unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of cynichrodene, tricarbonyl(η5-cyclopentadienyl)methylmolybdenum and tricarbonyl(η5-cyclopentadienyl)methyltungsten bearing a 2,4-dinitrophenyl hydrazinyl substituent in 13C NMR spectra”, Polyhedron 68 (2014) 390-400.

44.  H.-Y. Cheng, Y.-S. Huang, and P.-Q. Huang, “Application of the Stabilized Koopmans’ Theorem to the Temporary Anion States of Chlorosilanes in Long‐Range Corrected Density Functional Theory”, J. Chin. Chem. Soc. 61 (2014) 1313-1325.

45.  H.-Y. Cheng and Y.-S. Huang, “Temporary anion states of p-benzoquinone: shape and core-excited resonances”, Phys. Chem. Chem. Phys. 16 (2014) 26306-26313.

46. Y.-P. Wang, H.-H. Yang, J.-C. Wu, H.-Y. Cheng, and T.-S. Lin, “Unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of Cp2Fe, CpCr(CO)2(NO), and CpW(CO)3(CH3) bearing an electron-donating or electron-withdrawing substituent via resonance in 13C NMR spectra”, J. Organomet. Chem. 794 (2015) 168-180. 

47. Y.-P. Wang, F. Hsiau, W.-D. Tang, H.-Y. Cheng, and T.-S. Lin, “Crystal structures of [η5-C5H4CR(SCH2)2]Cr(NO)2X (R = H, X = Cl or I; R = CH3, X = Cl) and unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of dicarbonyl(η5-cyclopentadienyl) nitrosylchromium, chloro(η5-cyclopentadienyl)dinitrosylchromium, (η5-cyclopentadienyl)iododinitrosylchromium, and  (η5-cyclopentadienyl) methyldinitrosylchromium, bearing an electron-donating substituent via induction in 13C NMR spectra”,  Inorg Chim Acta. 436 (2015) 82-93.

48. Y.-P. Wang, W.-D. Tang, X.-H. Lui, H.-Y. Cheng, and T.-S. Lin, “Crystal structures of azine derivatives of (η5-acylcyclopentadienyl) dicarbonylnitrosylchromium and unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of azine derivatives of (η5-acylcyclopentadienyl)dicarbonylnitrosylchromium, (η5-acylcyclopentadienyl)tricarbonylmethylmolybdenum, and (η5-acylcyclopentadienyl)tricarbonylmethyltungsten in 13C NMR spectra”, Polyhedron 100 (2015) 231-242.

49.  H.-Y. Cheng, Y.-C. Chen, C.-J. Lin, W.-C. Liu, and S.-H. Hsieh, “Temporary anion states of radiosensitive halopyrimidines: Shape and core-excited resonances”, Comp. Theor. Chem. 1075 (2016) 18-29.

50. Y.-P. Wang, X.-H. Lui, H.-Y. Cheng, and T.-S. Lin, “2D HETCOR NMR Spectrum and Structure of Dicarbonyl (η5‐N, N‐dimethylcarbamoylcyclopentadienyl) nitrosylchromium [η5‐C5H4CON (CH3)2)] Cr (CO)2(NO)”, J. Chin. Chem. Soc. 63 (2016) 275–281.

51. T. W. Lin, T. T. Tasi, P. L. Chang, and H.-Y. Cheng, “Reversible Association of Nitro Compounds with p-Nitrothiophenol Modified on Ag Nanoparticles/Graphene Oxide Nanocomposites through Plasmon Mediated Photochemical Reaction”. ACS Appl. Mater. Interfaces. 8 (2016) 8315–8322.

52. Y.-P. Wang, W.-D. Tang, J.-M. Hwu, J.-C. Wu, H.-Y. Cheng, and T.-S. Lin, “Crystal structures of (η5-C5H4COC6H5)Cr(NO)2(X) (X = Cl, I), and unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of dicarbonyl(η5-cyclopentadienyl)nitrosylchromium, (η5-cyclopentadienyl)halodinitrosylchromium (halo = Cl, Br, I), bis(η5-cyclopentadienyl)iron, and tricarbonyl(η5-cyclopentadienyl) methyltungsten bearing a carbonyl substituent in 13C NMR spectra”, J. Organomet. Chem. 822 (2016) 228-240. 

53. Y.-P. Wang, T.-B. Lin, and H.-Y. Cheng, “2D HETCOR NMR Spectra and Unequivocal Assignments of (E)- and (Z)-1-ferrocenyl-2-phenylethene, and (1E,3E)- and (1Z,3E)-1-ferrocenyl-4-phenyl-1,3-butadiene, (E)-1,2-diferreocenylethene, and (1E,3E)-1,4-diferrocenyl-1,3-butadiene in 13C NMR spectra”, Polyhedron 127 (2017) 410-419.

54. H.-Y. Cheng and C.-J. Lin, “Shape and core-excited resonances of thionucleobases”, Int J Quantum Chem. 2018; e25634.

55. K.C. Seetha Lakshmi, B. Vedhanarayanan, H.-Y. Cheng, X. Ji, H-H. Shen, T-W. Lin, “Molecularly engineered organic copolymers as high capacity cathode materials for aqueous proton battery operating at sub-zero temperatures”, Journal of Colloid and Interface Science 619 (2022), 123-131.  

56. Y.-S. Lin, N.-H. Chen, Y.-R. Chen, K. Kalidass, H.-Y. Cheng, P. Venkatakrishnan, T. J. Chow, Y. J. Chang, ” Novel Hole Transporting Materials based on Cyclopentadithiophene for Perovskite Solar Cells”, Journal of Photochemistry and Photobiology 16 (2023), 100189.