Jia-Jen Ho
Name Jia-Jen Ho
Email jjh@ntnu.edu.tw
Title Professor
Research Physical Chemistry, Computational Chemistry
Research Specialization We are interested in theoretical studies of reaction mechanism, structure, barrier and the stability of possible products.
期刊論文
  1. Shiuan-Yau Wu, Chien-Hao Lin and Jia-Jen Ho* "Density-functional calculations of the conversion of methane to methanol on platinum-decorated sheets of graphene oxide" Phys. Chem. Chem. Phys., 2015, 17, 26191。
  2. Chun-Chih Chang and Jia-Jen Ho* Phys. Chem. Chem. Phys. 2015, 17, 11028—11035.。
  3. Chen-Hao Yeh and Jia-Jen Ho* Phys. Chem. Chem. Phys.,2015, 17, 7555—7563。
  4. Chih-Chun Chen, Chen-Hao Yeh, Chun-Chih Chang, and Jia-Jen Ho* Ind. Eng. Chem. Res. 2015, 54, 1539−1546.。
  5. Shiuan-Yau Wu and Jia-Jen Ho* J. Phys. Chem.C, 2014, 118, 26764-26771.。
  6. Han-Jung Li, Chen-Hao Yeh, and Jia-Jen Ho* Catal. Commun. 2014, 52, 5-9.。
  7. Chen-Hao Yeh, Yu-Chieh Lin and Jia-Jen Ho* Phys. Chem. Chem. Phys. 2014, 16, 7394-7400.。
  8. Chun-Chih Chang and Jia-Jen Ho* Phys. Chem. Chem. Phys. 2014, 16, 5393-5398.。
  9. 何嘉仁(2013/10)。The Catalytic Adsorption and Dissociation of Carbon Dioxide on a Double Icosahedral Ru19 Nanocluster – A Theoretical Study。Chemical Physics Letters，585(149–152)。
  10. 何嘉仁(2013/06)。Theoretical Study of Selective Hydrogenation in a Mixture of Acetylene and Ethylene over Fe@W(111) Bimetallic Surfaces。APPLIED CATALYSIS A-GENERAL，462-463(296–301)。
  11. 何嘉仁(2013/05)。Energetics of C–N coupling reactions on Pt(111) and Ni(111) surfaces from application of density-functional theory。PHYSICAL CHEMISTRY CHEMICAL PHYSICS，15(25)。
  12. 何嘉仁(2012/09)。A First-Principle Calculation of Sulfur Oxidation on Metallic Ni(111) and Pt(111), and Bimetallic Ni@Pt(111) and Pt@Ni(111) Surfaces。ChemPhysChem，13。
  13. 何嘉仁(2012/06)。Adsorption, Dissociation, and Hydrogenation of CO2 on WC(0001) and WC-Co Alloy Surfaces Investigated with Theoretical Calculations。Journal of Physical Chemistry C，116。
  14. 何嘉仁(2012/06)。Theoretical Calculations on the Oxidation of CO on Au55, Ag13Au42, Au13Ag42, and Ag55 Clusters of Nanometer Size。Journal of Physical Chemistry C，116。
  15. 何嘉仁(2011/12)。The mechanism of the water-gas shift reaction on Cu/TiO2(110) elucidated from application of density-functional theory。Physical Chemistry Chemical Physics，113。
  16. 何嘉仁(2011/08)。The Reactivity of C-C Scission on Ni-based Core/Shell Bimetallic Surfaces Investigated with Quantum-chemical Calculations。Journal of Physical Chemistry C，115。
  17. 何嘉仁(2011/05)。Density Functional Calculations to Study the Mechanism of the Fischer-Tropsch Reaction on Fe(111) and W(111) Surfaces。Journal of Physical Chemistry C，115。
  18. 何嘉仁(2011/03)。Reaction of NO on NiPt Bimetallic Surfaces Investigated with Theoretical Calculations。Journal of Physical Chemistry C，115。
  19. 何嘉仁(2011/01)。The role of Ru atoms toward the dehydrogenation of ethanol on Ru/ZrO2(1 1 1) surface。Chemical Physics Letters，501。
  20. 何嘉仁(2010/10)。Study of H2S Dissociation and Sulfur Oxidation on a W(111) Surface。Journal of Physical Chemistry C，114。
  21. 何嘉仁(2010/10)。The interaction of NOx on Ni(111) surface investigated with quantum-chemical calculations。Physical Chemistry Chemical Physics，12。
  22. 何嘉仁(2010/06)。Density-functional study for the NOx(x = 1, 2) dissociation mechanism on the Cu(1 1 1) surface。Chemical Physics，373。
  23. 何嘉仁(2010/01)。The adsorption and dissociation of H2O on TiO2(110) and M/TiO2(110) (M= Pt, Au) surfaces- a computational investigation。International Journal of Hydrogen Energy，35。
  24. 何嘉仁(2010/01)。Density Functional Calculations on the Hydrogenation of Carbon Dioxide on Fe(111) and W(111) Surfaces。Journal of Physical Chemistry C，114。
  25. 何嘉仁(2009/10)。Mechanism of CH2 Steam Reforming on a Rh/ZrO2(111) Surface: A Computational Study。Journal of Physical Chemistry C，113。
  26. 何嘉仁(2009/08)。Density Functional Studies of Ethanol Dehydrogenation on a 2Rh/γ-Al2O3(110) Surface。Journal of Physical Chemistry C，113。
  27. 何嘉仁(2009/03)。Dehydrogenation of Ethanol on a 2Ru/ZrO2(111) Surface: Density Functional Computations。Journal of Physical Chemistry C，113。
  28. 何嘉仁(2009/03)。Dehydrogenation of ethanol on an O2–4Rh/CeO2−x(1 1 1) surface: A computational study。Chemical Physics，359。
  29. 何嘉仁(2008/03)。Density-functional calculation of the adsorption and reaction of CO and H2O。Chemical Physics，348。
  30. 何嘉仁(2008/02)。Theoretical study on the reaction pathways of HFCO + H2O。Journal of Molecular Structure: THEOCHEM，858。
  31. 何嘉仁(2007/05)。Quantum-chemical calculations on a novel reaction mechanism of CNN with NO。Chemical Physics Letters，442。
  32. 何嘉仁(2007/03)。The calculated effects of substitution on intramolecular cyclization of 2,5-hexadienyl radicals。Journal of Molecular Structure: THEOCHEM，815。
  33. 何嘉仁(2006/08)。Quantum-chemical calculations of the methylation of hydroxamic and thiohydroxamic acids with diazomethane。Journal of Molecular Structure: THEOCHEM，778。
  34. 何嘉仁(2006/08)。Calculated Effect of Substitutions on the Regioselectivity of Cyclization of r-Sulfenyl-, r-Sulfinyl-, and r-Sulfonyl-(5R)-5-hexenyl Radicals。Journal of Organic Chemistry，71。
  35. 何嘉仁(2006/07)。Ab initio study of intramolecular hydrogen transfer in formylperoxy radical。Journal of Molecular Structure: THEOCHEM，774。
  36. 何嘉仁(2006/06)。Computational investigation of the reaction of NO with imine, silanimine, and its substituted derivatives。Journal of Molecular Structure: THEOCHEM，772。
  37. 何嘉仁(2006/06)。Theoretical Calculation of the Dehydrogenation of Ethanol on a Rh/CeO2(111) Surface。Journal of Physical Chemistry B，110。
  38. 何嘉仁(2006/05)。Theoretical Investigation of the Mechanisms of Reactions of H2CN and H2SiN with NO。Journal of Physical Chemistry A，110。
  39. 何嘉仁(2005/12)。Theoretical Investigation of the Mechanisms of Reaction of NCN with NO and NS。Journal of Physical Chemistry A，109。
  40. 何嘉仁(2004/02)。Ab Initio Study of the Formation of Glycine via Amino Acetonitrile and Amino-Cyano-Acetic Acid。Journal of Physical Chemistry A，108。
  41. 何嘉仁(2003/07)。Theoretical Study of NCO and RCCH (R ) H, CH3, F, Cl, CN) [3 + 2] Cycloaddition Reactions。Journal of Physical Chemistry A，107。
  42. 何嘉仁(2003/04)。Theoretical Study of Reaction Mechanisms for NCX (X ) O, S) + C2H2。Journal of Physical Chemistry A，107。
  43. 何嘉仁(2003/01)。Theoretical Studies of Isomerization Barriers of 2-Pentoxy Radical and Its Products。International Journal of Quantum Chemistry，91。
  44. 何嘉仁(2002/02)。Theoretical Studies of Isomerization Reactions of 2-Pentoxy Radical and Its Derivatives Including the Unsaturated Alkoxy Radicals。Journal of Physical Chemistry A，106。
  45. 何嘉仁(2001/04)。Ab Initio Study of Hydrolysis of Amino Malononitrile: Formation of Amino Acetonitrile。Journal of Physical Chemistry A，105。
  46. 何嘉仁(2000/09)。Ab Initio Study of Proton Transfer between Protonated Formohydroxamic Acid and Water Molecules。Journal of Physical Chemistry A，104。
  47. 何嘉仁(2000/05)。Theoretical Study of Intramolecular Hydrogen Transfer in Thioformohydroxamic Acid and Its Aceto and Fluoro-Substituted Derivatives。Journal of Physical Chemistry A，104。
  48. 何嘉仁(1999/05)。Ab Initio Study of Substitution Effect and Catalytic Effect of Intramolecular Hydrogen Transfer of N-Substituted Formamides。Journal of Physical Chemistry A，103。
  49. 何嘉仁(1998/03)。Ab Initio Study of Intramolecular Proton Transfer in Formohydroxamic Acid。Journal of Physical Chemistry A，102。
  50. 何嘉仁(1997/02)。Ab Initio Calculations on the Structure and Energetics of Li4OH, Li3NaOH and Ab Initio Calculations on the Structure and Energetics of Li4OH, Li3NaOH andLi2Na2OH Isomers.。Journal of Physical Chemistry A，101。
  51. 何嘉仁(1995/11)。Theoretical Studies of Proton Transfer in (CH3CHO-H-OCHCH3)+。Journal of Physical Chemistry，99。
  52. 何嘉仁(1995/08)。Effects of Formaldehyde Substituents on Potential Energy Profiles for Proton Transfer in (ABCO-H-OCXH)+。Journal of Physical Chemistry，99。
  53. 何嘉仁(1995/01)。Calculated Effects of Formaldehyde Substituents on Proton Transfer in (H2CO-H-OCX2)+。Journal of American Chemical Society，117。


     
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  57. Hui-Lung Chen, Han-Jung Li and Jia-Jen Ho*, “Quantum-Chemical Calculations ona NovelReaction Mechanism of CNN with NO”, Chem. Phys. Lett. 2007, 442, 35-41.
  58. Hsiao-Chuan Yang, Hui-Lung Chen and Jia-Jen Ho, “ Ab Initio Study of Intramolecular Hydrogen Transfer in Formylperoxy Radical", J. Mol. Struct. (THEOCHEM) 2006 , 774, 34-40.
  59. Hui-Lung Chen and Jia-Jen Ho, “ Computational Investigation of the Reaction of NO with Imine, Silanimine, and Its Substituted Derivatives", J. Mol. Struct. (THEOCHEM) 2006 , 772, 88-97.
  60. Hui-Lung Chen, Ching-Wen Wu and Jia-Jen Ho , “ Theoretical Investigation of the Mechanisms of Reactions of H2CN and H2SiN with NO ", J. Phys. Chem. A. 2006 , 110 , 8893-8900.
  61. Chung-Yu Yang, Hui-Lung Chen and Jia-Jen Ho, “ Quantum-Chemical Calculations of the Methylation of Hydroxamic and Thiohydroxamic Acids with Diazomethane", J. Mol. Struct. (THEOCHEM) 2006 , in press.
  62. Hui-Lung Chen, Shih-Hung Liu and Jia-Jen Ho , “ Theoretical Calculation of the Dehydrogenation of Ethanol on a Rh/CeO2(111) Surface", J. Phys. Chem. B. 2006 , 110 , 14816-14823
  63.  Ching-Wen Wu and Jia-Jen Ho*, “Calculated Effect of Substitutions on the Regioselectivity of Cyclization of r-Sulfenyl-, r-Sulfinyl-, and r-Sulfonyl-(5R)-5-hexenyl Radicals”, J. Org. Chem. 2006, 71, 9595-9601.
  64. Hsin-Tsung Chen and Jia-Jen Ho, “ Theoretical Investigation of the Mechanisms of Reactions of NCN with NO and NS ", J. Phys. Chem. A. 2005 , 109 , 2564-2571.
  65. Hong-Shun Zhu and Jia-Jen Ho, “Ab initio Study of the Formation of Glycine via Amino Acetonitrile and Amino-Cyano-Acetic Acid", J. Phys. Chem. A. 2004 , 108 , 3798-3805.
  66. Ching-Yeh Lin and Jia-Jen Ho, “Theoretical studies of Isomerization Barriers of 2-Pentoxy Radical and Its Products", Int. J. Quantum. Chem. 2003, 91 , 461-466.
  67. Hsin-Tsung Chen and Jia-Jen Ho, “Theoretical Study of NCO and RCCH (R= H, CH3, F, Cl, CN) [3+2] Cycloaddition Reactions", J. Phys. Chem. A , 2003 , 107 , 7643-7649.
  68. Hsin-Tsung Chen and Jia-Jen Ho, “Theoretical Study of Reaction Mechanism for NCX (X=O, S) + C2H2", J. Phys. Chem. A , 2003 , 107 , 7004-7012.
  69. Ching-Yeh Lin and Jia-Jen Ho, “Theoretical studies of Isomerization Reactions of 2-Pentoxy Radical and Its Derivatives Including the Unsaturated Alkoxy Radicals”, J. Phys. Chem. A. 2002 , 106 , 4137-4144.
  70. Hong-Shun Zhu and Jia-Jen Ho, “Ab Initio Study of Hydrolysis of Amino Malononitrile: Formation of Amino Acetonitrile”, J. Phys. Chem. A. 2001 , 105 , 6543-6551.
  71. Szu-Jen Yen and Jia-Jen Ho, “Theoretical Study of Intramolecular Hydrogen Transfer in Thioformohydroxamic Acid and Its Aceto and Fluoro-Substituted Derivatives”, J. Phys. Chem. A. 2000 , 104 , 8551-8557.
  72. Szu-Jen Yen and Jia-Jen Ho, “Ab Initio Study of Proton Transfer between Protonated Formohydroxamic Acid and Water Molecules”, J. Phys. Chem. A. 2000 , 104 , 11771-11776.
學術研究計畫
  1. 何嘉仁(2016/08/01-2017/07/31)。以理論計算方法探討高活性金屬奈米團簇與石墨烯在催化反應上的應用。國科會。(NSC 102-2113-M-003-008-MY4)。主持人。
  2. 何嘉仁(2015/08/01-2016/07/31)。以理論計算方法探討高活性金屬奈米團簇與石墨烯在催化反應上的應用。國科會。(NSC 102-2113-M-003-008-MY4)。主持人。
  3. 何嘉仁(2014/08/01-2015/07/31)。以理論計算方法探討高活性金屬奈米團簇與石墨烯在催化反應上的應用。國科會。(NSC 102-2113-M-003-008-MY4)。主持人。
  4. 何嘉仁(2013/08/01-2014/07/31)。以理論計算方法探討高活性金屬奈米團簇與石墨烯在催化反應上的應用。國科會。(NSC 102-2113-M-003-008-MY4)。主持人。
  5. 何嘉仁(2012/08/01-2013/07/31)。以理論計算方法探討與開發新能源及環保相關的表面催化反應。國科會。(NSC-99-2113-M-003-006-MY3)。總主持人。
  6. 何嘉仁(2011/08/01-2012/07/31)。以理論計算方法探討與開發新能源及環保相關的表面催化反應。國科會。(NSC-99-2113-M-003-006-MY3)。總主持人。
  7. 何嘉仁(2010/08/01-2011/07/31)。以理論計算方法探討與開發新能源及環保相關的表面催化反應。國科會。(NSC-99-2113-M-003-006-MY3)。主持人。
  8. 何嘉仁(2009/08/01-2010/07/31)。以理論計算方法探討大氣中重要氣體, 及乙醇在金屬氧化物表面的重要化學反應(有助於新能源開發及消減溫室效應)。國科會。(NSC 96-2113-M-003-007-MY3)。總主持人。
  9. 何嘉仁(2008/08/01-2009/07/31)。以理論計算方法探討大氣中重要氣體, 及乙醇在金屬氧化物表面的重要化學反應(有助於新能源開發及消減溫室效應)。國科會。(NSC 96-2113-M-003-007-MY3)。總主持人。
  10. 何嘉仁(2007/08/01-2008/07/31)。以理論計算方法探討大氣中重要氣體, 及乙醇在金屬氧化物表面的重要化學反應(有助於新能源開發及消減溫室效應)。國科會。(NSC 96-2113-M-003-007-MY3)。主持人。
  11. 何嘉仁(2006/08/01-2007/07/01)。大氣中產生二氧化硫, 還原一氧化氮及相關反應機制的理論計算研究(3/3)。國科會。(NCS-95-2113-M-003-002)。主持人。
  12. 何嘉仁(2005/08/01-2006/07/31)。大氣中產生二氧化硫, 還原一氧化氮及相關反應機制的理論計算研究(2/3)。國科會。(NSC-94-2113-M-003-005)。主持人。
  13. 何嘉仁(2004/08/01-2005/07/31)。大氣中產生二氧化硫, 還原一氧化氮及相關反應機制的理論計算研究(1/3)。國科會。(NSC-93-2113-M-003-013)。主持人。
  14. 何嘉仁(2003/08/01-2004/07/31)。理論計算探討氣相有機小分子反應及合成反應機構(2/2)。國科會。(NSC-92-2113-M-003-001)。主持人。
  15. 何嘉仁(2002/08/01-2003/07/31)。理論計算探討氣相有機小分子反應及合成反應機構(1/2)。國科會。(NSC-91-2113-M-003-011)。主持人。
  16. 何嘉仁(2001/08/01-2002/07/31)。氣相有機分子異構化及合成反應機構的理論計算研究。國科會。(NSC-90-2113-M-003-014)。主持人。
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