All Stories

  1. Novel hole transporting materials based on cyclopentadithiophene for perovskite solar cells

    Article • Journal of Photochemistry and Photobiology, August 2023, Elsevier

    Professor Hsiu-Yao Cheng

  2. Molecularly engineered organic copolymers as high capacity cathode materials for aqueous proton battery operating at sub-zero temperatures

    Article • Journal of Colloid and Interface Science, August 2022, Elsevier

    Professor Hsiu-Yao Cheng

  3. Shape and core-excited resonances of thionucleobases

    Article • International Journal of Quantum Chemistry, March 2018, Wiley

    Professor Hsiu-Yao Cheng

  4. Reversible Association of Nitro Compounds withp-Nitrothiophenol Modified on Ag Nanoparticles/Graphene Oxide Nanocomposites through Plasmon Mediated Photochemical Reaction

    Article • ACS Applied Materials & Interfaces, March 2016, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  5. 2D HETCOR NMR Spectrum and Structure of Dicarbonyl(η5-N, N-dimethylcarbamoylcyclopentadienyl)nitrosylchromium [η5-C5H4CON(CH3)2)]Cr(CO)2(NO)

    Article • Journal of the Chinese Chemical Society, February 2016, Wiley

    Professor Hsiu-Yao Cheng

  6. Temporary anion states of radiosensitive halopyrimidines: Shape and core-excited resonances

    Article • Computational and Theoretical Chemistry, January 2016, Elsevier

    Professor Hsiu-Yao Cheng

  7. 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

    Article • Journal of Organometallic Chemistry, October 2015, Elsevier

    Professor Hsiu-Yao Cheng

  8. 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)dinitrosylchromi...

    Article • Inorganica Chimica Acta, September 2015, Elsevier

    Professor Hsiu-Yao Cheng

  9. Application of the Stabilized Koopmans’ Theorem to the Temporary Anion States of Chlorosilanes in Long‐Range Corrected Density Functional Theory

    Article • Journal of the Chinese Chemical Society, September 2014, Wiley

    Professor Hsiu-Yao Cheng

  10. Temporary anion states of p-benzoquinone: shape and core-excited resonances

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Hsiu-Yao Cheng

  11. 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)meth...

    Article • Polyhedron, January 2014, Elsevier

    Professor Hsiu-Yao Cheng

  12. Crystal structure of (CO)3(CH3)Mo[(η5-C5H4)C(CH3)N–NC(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-cyclopentad...

    Article • Journal of Organometallic Chemistry, April 2013, Elsevier

    Professor Hsiu-Yao Cheng

  13. Unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of dicarbonyl(η5-cyclopentadienyl)nitrosylchromium, dicarbonyl(η5-cyclopentadienyl)cobalt, and tricarbonyl(η5-cyclopentadienyl)methyltungsten derivatives bearing an electron-with...

    Article • Inorganica Chimica Acta, January 2013, Elsevier

    Professor Hsiu-Yao Cheng

  14. Energies and Lifetimes of Temporary Anion States of Chloromethanes by Stabilized Koopmans’ Theorem in Long-Range Corrected Density Functional Theory

    Article • The Journal of Physical Chemistry A, December 2012, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  15. Characterization of the Temporary Anion States on Perfluoroalkanes via Stabilized Koopmans’ Theorem in Long-Range Corrected Density Functional Theory

    Article • The Journal of Physical Chemistry A, March 2012, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  16. Energy and Lifetime of Temporary Anion States of Uracil by Stabilization Method

    Article • The Journal of Physical Chemistry A, August 2011, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  17. Application of the Stabilization Method to Temporary Anion States of CH3CN, CH3NC, CH3SCN, and CH3NCS in Density Functional Theory with Asymptotically Corrected Potentials

    Article • The Journal of Physical Chemistry A, December 2010, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  18. Application of the Stabilization Method to Temporary Anion States of π-Ligand Transition-Metal Carbonyls in Density Functional Theory

    Article • The Journal of Physical Chemistry A, February 2010, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  19. Temporary Anion States of Ferrocene and Dibenzene Chromium Using Stabilization Method in Density Functional Theory

    Article • The Journal of Physical Chemistry A, July 2009, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  20. The Cooperative Phenomenon of Autonomic Nervous System in Urine Storage for Wistar Rats

    Article • The Chinese Journal of Physiology, April 2009, Chinese Physiological Society

    Professor Hsiu-Yao Cheng

  21. The Cooperative Phenomenon of Autonomic Nervous System in Urine Storage for Wistar Rats

    Article • The Chinese Journal of Physiology, April 2009, Chinese Physiological Society

    Professor Hsiu-Yao Cheng

  22. Application of the Stabilization Method to the π* Temporary Anion States of Benzene and Substituted Benzenes in Density Functional Theory

    Article • The Journal of Physical Chemistry A, January 2009, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  23. Unequivocal assignments of C(2,5) and C(3,4) on the Cp ring of scynichrodene 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–...

    Article • Journal of Organometallic Chemistry, January 2009, Elsevier

    Professor Hsiu-Yao Cheng

  24. Synergic Co-activation in Forearm Pronation

    Article • Annals of Biomedical Engineering, September 2008, Springer Science + Business Media

    Professor Hsiu-Yao Cheng

  25. Cyclopentadienyl chromium and tungsten complexes with halide, methyl and σ-phenylethynyl ligands: Structures of (η5-C5H5)Cr(NO)2(–CC–C6H5), (η5-C5H5)Cr(NO)2I and [(η5-C5H4)-COOCH3]W(CO)3Cl

    Article • Journal of Organometallic Chemistry, July 2008, Elsevier

    Professor Hsiu-Yao Cheng

  26. Study on Chromium-Containing Aluminophosphate CrAPO-5 via Density Functional Theory

    Article • Journal of the Chinese Chemical Society, February 2008, Wiley

    Professor Hsiu-Yao Cheng

  27. Syntheses and spectra of chromium–titanium complexes bridged by carboxylate substituted cyclopentadienyl group: The structure of Cp2Ti(CH3){[OC(O)C5H4]Cr(NO)2Cl}

    Article • Journal of Organometallic Chemistry, January 2008, Elsevier

    Professor Hsiu-Yao Cheng

  28. 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(NCS)

    Article • Journal of Organometallic Chemistry, July 2007, Elsevier

    Professor Hsiu-Yao Cheng

  29. Sluggish σ-Bond Formation between sp-Hybridized Carbons:  Acetylide Coupling on Ag(111)

    Article • Journal of the American Chemical Society, January 2007, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  30. Studies of the [Cr(CN)5NO]3− and [Cr(NH3)5NO]2+ complex ions via density functional theory

    Article • Journal of Molecular Structure THEOCHEM, November 2006, Elsevier

    Professor Hsiu-Yao Cheng

  31. On the [Fe(H2O)5XO]2+ (XC, N, O) complex ions via density functional theory

    Article • Journal of Molecular Structure THEOCHEM, June 2005, Elsevier

    Professor Hsiu-Yao Cheng

  32. Study of the [Cr(H2O)5NO]2+Complex via Density Functional Theory

    Article • Journal of the Chinese Chemical Society, June 2005, Wiley

    Professor Hsiu-Yao Cheng

  33. Density functional theory of the iron–nitrosyl (S = 3/2) complex

    Article • International Journal of Quantum Chemistry, January 2005, Wiley

    Professor Hsiu-Yao Cheng

  34. On the “Brown‐Ring” Reaction Product via Density‐Functional Theory.

    Article • ChemInform, February 2004, Wiley

    Professor Hsiu-Yao Cheng

  35. On the “Brown-Ring” Reaction Product via Density-Functional Theory

    Article • The Journal of Physical Chemistry A, December 2003, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  36. Bifurcation Analysis of the Trans ↔ Cis Rotation of Monorotor Molecules

    Article • Journal of the Chinese Chemical Society, June 2003, Wiley

    Professor Hsiu-Yao Cheng

  37. Characterization of internal rotation of monorotor molecules via bifurcation analysis

    Article • Chemical Physics Letters, May 2003, Elsevier

    Professor Hsiu-Yao Cheng

  38. X-ray absorption measurement and density functional theory analysis of gallium in gallium-containing beta zeolites

    Article • Microporous and Mesoporous Materials, October 2001, Elsevier

    Professor Hsiu-Yao Cheng

  39. Studies of the Structure of Vanadium Species in VAPO-5 Molecular Sieves via Density Functional Theory Computation and Raman Spectroscopy

    Article • The Journal of Physical Chemistry, November 2000, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  40. Density Functional Theory Calculation and X-ray Absorption Spectroscopy Studies of Structure of Vanadium-Containing Aluminophosphate VAPO-5

    Article • The Journal of Physical Chemistry, May 2000, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  41. Stabilized Koopmans' Theorem Calculations on the π* Anion States of 1,4,5,8-Tetrahydronaphthalene

    Article • The Journal of Physical Chemistry A, April 1998, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  42. Limitations of ab initio molecular dynamics simulations of simple reactions: F + H2 as a prototype

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, July 1997, Elsevier

    Professor Hsiu-Yao Cheng

  43. Stabilized Koopmans' Theorem Calculations on the .pi.* Temporary Anion States of Benzene and Substituted Benzenes

    Article • The Journal of Physical Chemistry, May 1995, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  44. Splitting Energies of .pi.* Anion States of 1,4-Cyclohexadiene via the Exponent Stabilization Method

    Article • The Journal of Physical Chemistry, December 1994, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  45. Sensitivity analysis of the scattering wave functions for a model potential via the stabilization method

    Article • The Journal of Physical Chemistry, April 1993, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  46. Application of Analytic Continuations to Avoided Crossings

    Article • Journal of the Chinese Chemical Society, February 1993, Wiley

    Professor Hsiu-Yao Cheng

  47. Application of The Xα and PM3 Methods to Chloromethanes: Ionization Potentials and Electron Affinities

    Article • Journal of the Chinese Chemical Society, February 1992, Wiley

    Professor Hsiu-Yao Cheng

  48. Stabilization/analytic continuation procedure of calculating resonance energies: model problem

    Article • Chemical Physics Letters, April 1991, Elsevier

    Professor Hsiu-Yao Cheng

  49. Stabilization/Analytic Continuation Procedure of Calculating Resonance Energies: Model Problem

    Article • The Journal of Chemical Physics, July 1990, American Institute of Physics

    Professor Hsiu-Yao Cheng

  50. Use of the X.alpha. method for the characterization of temporary negative ions of benzene and substituted benzenes

    Article • The Journal of Physical Chemistry, October 1987, American Chemical Society (ACS)

    Professor Hsiu-Yao Cheng

  51. Temperature-programmed desorption studies on ZSM—5 zeolites

    Article • Zeolites, January 1984, Elsevier

    Professor Hsiu-Yao Cheng