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國立清華大學化學系 Department of Chemistry
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儲三陽

職    稱：特聘榮譽教授
最高學歷：美國美伊州理工學院博士
辦公室位置：化學館R201
辦公室分機：33389
電子信箱：sychu@mx.nthu.edu.tw
個人網站：
研究專長：

計算化學

期刊論文：
  1. Ren, Y.; Wang, X; Chu, S. Y.; Wang, N.B. ” Counter-ion Efffect in the Nucleophilic Substitution Reactions at Silicon: A G2M(+) Level Theoretical Investigation”, Theor. Chem. Acc. 2008, 119, 407.
  2. Chao, D.; Li, Q. G.; Ren. Y.; Wong, N. B.; Chu, S. Y.;; Zhu, H. J. “A Comprehensive Theoretical Study on the Hydrolysis of Carbonyl Sulfide in the Neutral Water”, J. Comput. Chem., 2008, 29, 466.
  3. Li, Q. G.; Liag, G. M.; Wang, X.; Chu, S. Y.; Ren, Y. “Ab Initio Computation Modeling on the Tautomerism of Monochalcogenocarboxylic Acids CH3C(=O) XH (X = S. Se. and Te) in the Polar and Aprotic Solution” J. of Quantum Chem. 2008, 107, 142.
  4. Liang, G. M.; Ren, Y.; Chu, S. Y.; Wong, N. B.” Exploring The Potential Energy Surface Of The Catalyzed Isomerization Of Nitrosomethane To Formaldoxime” J. Theor. Comput. Chem. 2007, 6(1), 1
  5. Ren, Y.; Gai, J. G.; Xiong, Y.; Lee, K. H.; Chu, S. Y.” A Theoretical Study on the Identity Ion Pair SN2 Reactions of LiX with CH3SX (X=Cl, Br and I), Structure, Mechanism and Potential Energy Surface” J. Phys. Chem. A 2007, 111(29), 6615.
  6. Cheng, H. M.; Lin, C. F.; Chu, S. Y.” Distinct π Bonding Capability Between Phosphinidene and Phosphoniumn Ion: A Computational Study” J. Phys. Chem. A 2007, 111(29), 6890.
  7. Jayanth, T. T.; Jeganmoham, M.; Cheng, M. J.; Chu, S. Y.; Cheng, C. H. “Ene Reaction of Arynes with Alkynes” J. Am. Chem. Soc. 2006, 128, 2232.
  8. Ren, Y.; Li, M.; Wong, N. B.; Chu, S. Y. “Ab Initio Computational Insight into the Ion Pair SN2 Reaction of Lithium Isothiocyanate and Methyl Fluoride in the Gas Phase and in Acetone Solution” J. Mol. Model, 2006, 12, 182.
  9. Ren, Y.; Chu, S. Y. “Recent Development in the Study of SN2 Reactions at Heteroatoms and Ion Pair Systems” J. Theor. & Comput. Chem., 2006, 5, 121.
  10. Sun, Y. X.; Ren, Y.; Wong, N. B; Chu, S. Y.; Xue, Y. “A Comprehensive Mechanistic Study on Ion Pair SN2 Reactions of Lithium Isocyanate and Methyl Halides” Inter. J. Quantum Chem., 2006, 106, 1653.
  11. Jiang, Z. Y.; Lee, K. H.; Li, S. T.; Chu, S. Y. “Structures and Charge Distributions of Cationic and Neutral Cun-1Ag Clusters (n=2-8)” Phys. Rev. B, 2006, 73, 235423.
  12. Jiang, Z. Y.; Lee, K. H.; Li, S. T.; Chu, S. Y. “Structures and Charge Distributions of Cationic and Neutral LinXm (X = Na and K)” Int. J. of Mass Spect. 2006, 253(1-2) 104.
  13. Jiang, Z. Y.;Luo, X. M..; Li, S. T.; Chu, S. Y. “Structures and Stability of B-doped Al Anions: AlnB- and A1nB2- (n=1-7)” Int. J. of mass Spect. 2006, 252(3), 197.
  14. Cheng, M. J.; Cheng, H. M.: Chu, S.Y. “Computational Studies on Stable Triplet States of Metallaacetylenes and the Effects of Halogen Substituents” J. Phys. Chem. A., 2006,110(35), 10495.
  15. Cheng, M. J.; Cheng, H. M.; Chu, S. Y.” Computational Studies on Insertion Reaction of Germynes” J. Chin. Chem. Soc. 2006, 53(6), 1243 (memory issue for prof. Tong-Ing Ho).
  16. Zhu, H. J.; Ren, Y.; Ren, J.; Chu, S. Y. “Theoretical Investigation of the Ion Pair SN2 Reaction of Alkali Isothiocynates with Alkyl Halides. Part 1. The Reaction of Lithium Isothiocyanate and Methyl Fluoride with Inversion Mechaism” Int. J. Quantum Chem. 2005, 104-112, 101.
  17. Cheng, M. J.; Chu, S. Y. “Bonding Pattern Continuum from Covalent to Dative Carbon-Silicon Bond for Substituted Silene-A Theoretical Study” Organometallic, 2005, 24, 3746.
  18. Zhu, H. J.; Ren, Y,; Ren, J.; Chu, S. Y. “DFT exploration of tautomerism of 2-Mercaptoimidazole in aqueous solution” J. Mol. Struct. (THEOCHEM) 2005, 730, 199.
  19. Su, M. D.; Lai, C. H.; Cheng, M. J.; Chu, S. Y. “Hydrogen Shift Isomerization Study of Doubly Bonded Compounds between Heavy Group 15 Elements HXYH (X, Y=As, Sb and Bi), J. Phys. Chem. 2004,108, 8448.
  20. Ren, Y.; Chu, S. Y. “Ion-Pair SN2 Reactions at Nitrogen: A High Level Computational Study,” J. Phys. Chem. 2004,108, 7079.
  21. Lai, C. H.; Su, M. D.; Chu, S. Y. “A theoretical study of substituent effects on germanium-phosphorus triple bonds”, J. Phys. Chem. A 2002, 106, 575.(SCI)
  22. Ren, Y.; Chu, s. Y. “A Comprehensive Theoretical Study on the Identity Ion Pair SN2 Reactions of LiX with NH2X (X=F, Cl, Br, I), Structure, Mechanism and Potential Energy Surface” Chem. Phys. Lett. 2003, 376, 524.(SCI)
  23. Ren, Y.; Chu, s. Y. “A Comprehensive Theoretical Study on the Identity Ion Pair SN2 Reactions of LiX with NH2X (X=F, Cl, Br, I), Structure, Mechanism and Potential Energy Surface” Chem. Phys. Lett. 2003, 376, 524.(SCI)
  24. Liao, H. Y.; Chu, S. Y. “Structural Symmetry Study of Some Protonated Dimer Systems” J. Chin. Chem. Soc. 2003, 50, 685.(SCI)
  25. Yang, J.; Ren, Y.; Zhu, H. J.; Chu, S. Y. “Gas-phase Non-identity SN2 Reactions at Neutral Nitrogen: A Hybrid DFT Study” Int. J. Mass Spectr. 2003, 229, 199.
  26. Ren. Y.; Chu, S.-Y. “Modified Gaussian-2 Level Investigation of the Identity Ion-Pair SN2 Reactions of Lithium Halide and Methyl Halide with Inversion and Reaction Mechanisms” J. Comput. Chem, 2004, 25, 461.
  27. Lai, C. H.; Su, M. D.; Chu, S. Y. "Effect of First-Row Substitution on Silicon-Phosphorus Triple Bonds," Inorg. Chem. 2002, 41, 1320..(SCI)
  28. Liao, H. Y.; Chu, S. Y. "Structural Symmetry Study of Some Bis-Adduct of an Acceptor with Two Donors," Int. J. Quantum Chem. 2002, 90, 507.(SCI)
  29. Lin, C. L.; Lai, C. H.; Chu, S. Y. "Electronic Relaxation Effect on Sequential -Cheavage Bond Dissociation Energy for Carbonyl Compounds and the Heavy Analogues," Chem. Phys. Lett., 2002, 359, 355.(SCI)
  30. Lin, C. L.; Lai, C. H.; Chu, S. Y. "Electronic Relaxation Effect on Sequential -Cheavage Bond Dissociation Energy for Carbonyl Compounds and the Heavy Analogues," Chem. Phys. Lett., 2002, 359, 355.(SCI)
  31. Liao, H. Y.; Chu, S. Y. "Structural Symmetry Study of Some Bis-Adduct of an Acceptor with Two Donors," Int. J. Quantum Chem. 2002, 90, 507.(SCI)
  32. Lin, C. L.; Lai, C. H.; Chu, S. Y. "Electronic Relaxation Effect on Sequential -Cheavage Bond Dissociation Energy for Carbonyl Compounds and the Heavy Analogues," Chem. Phys. Lett., 2002, 359, 355.(SCI)
  33. Liao, H. Y.; Su, M. D.; Chu, S. Y. "Quantum Mechanical Study of Stabilization of Germaneselones," J. Phys. Chem. A, 2002, 106, 2614.(SCI)
  34. Lin, C. L.; Lai, C. H.; Chu, S. Y. "Electronic Relaxation Effect on Sequential -Cheavage Bond Dissociation Energy for Carbonyl Compounds and the Heavy Analogues," Chem. Phys. Lett., 2002, 359, 355.(SCI)
  35. Lai, C. H.; Su, M. D.; Chu, S. Y. "Relative Stability of Multiple Bonds between Germanium and Arsenic. A Theoretical Study," Polyhedron, 2002, 21, 579.(SCI)
  36. Lin, C. L.; Chu, S. Y. "Comparative Study between Carbonic and Sulfurous Acids for Dissociation Reaction in Water Clusters," J. Chin. Chem. Soc., 2002, 49, 777. (invited paper for the special issue of 70th anniversary).(SCI)
  37. Liao, H. Y.; Chu, S. Y. "Hydrogen Bond Acceptor Capability of Carbonyl -electron-Case Study of Hydrogen Bonded Urea Dimer." New J. Chem., 2003, 27, 421.(SCI)
  38. Lai, C. H.; S, M. D.; Chu, S. Y. “Theoretical Study of HNXH (X=N, P, AS, Sb and Bi) Isomers in the Singlet and Triplet States” J. Phys. Chem. A. 2003, 107, 2700.(SCI)
  39. Liao, H. Y.; Su, M. D.; Chu, S. Y. "Quantum Mechanical Study of Stabilization of Germaneselones," J. Phys. Chem. A, 2002, 106, 2614.(SCI)
  40. Liao, H. Y.; Su, M. D.; Chu, S. Y. “Theoretical study of germaneselone HXGe=Se (X=H and F): thermodynamic and kinetic stability”, J. Phys. Chem. A , 2001, 105, 9239.(SCI)
  41. Lai, C. H.; Su, M. D.; Chu, S. Y. “Theoretical study of triple bonds to germanium: relative stabilities of germanitriles and germaimines”, Chem. Comm. 2001, 1120.(SCI)
  42. Su, M. D.; Chu, S. Y. “Theoretical study of the oxidative addition of 16-electuon d4 [n]-metallocenophane complexes with methane”, J. Phys. Chem. A, 2001, 105, 3591.(SCI)
  43. Lai, C. H.; Su, M. D.; Chu, S. Y. “B3LYP and CCSD(T) studies of the mechanisms of Unimolecular reactions of HXCS (X=H and F), J. Phys. Chem. A, 2001, 105, 6932.(SCI)
  44. Lai, C. H.; Su, M. D.; Chu, S. Y. “B3LYP and CCSD(T) studies of the mechanisms of Unimolecular reactions of HXCS (X=H and F), J. Phys. Chem. A, 2001, 105, 6932.(SCI)
  45. Lai, C. H.; Su, M. D.; Chu, S. Y. “Structure, vibrational spectra, and relative energies of HXSIS (X=H, F, and Cl) Isomers”, Int. J. Quantum. Chem. 2001, 14, 82.(SCI)
  46. Chen, W. C.; Su, M. D.; Chu, S. Y. “Substituent effect on shape deformation and energies of the silicon and germanium double bond”, Organometallics, 2001, 20, 564.(SCI)
  47. Su, M. D.; Liao, H.-Y.; Chung, W.-C.; Chu, S.Y. “Density Functional Study of the Relative Reactivity in the Concerted 1,3-Dipolar Cycloaddition of Nitrile Ylide to Disubstituted Ethylenes,” Int. J. Quantum. Chem., 2001, 83, 318.(SCI)
  48. Lai, C. H.; Su, M. D.; Chu, S. Y. “Theoretical study of triple bonds to germanium: relative stabilities of germanitriles and germaimines”, Chem. Comm. 2001, 1120.(SCI)
  49. Liao, H. Y.; Su, M. D.; Chu, S. Y. "A stable species with a formal GeC triple bond-A theoretical study”, Chem. Phys. Lett. 2001, 341, 122.(SCI)
  50. Sha, C. K.; Ho, W. Y.; Mohanakrishnan, A. K.; Lin, C. L.; Chu, S. Y. “1, 5-Hydrogen atom transfer from ,  and  carbon to an alkenyl or aryl radical in cycloalkanones”, C. R. Acad. Sci. Paris, Chimie 2001, 4, 439 .(NOT SCI)
  51. Lin, C. L.; Liao, H. Y.; Chu, S. Y. “Two bonding studies on carbonyl compounds: a-cleavage bond dissociation energies and hydrogen bond acceptor capability of carbonyl p-electron”, Chemistry (CCS, Taipei) 2001, 59, 535.(NOT SCI)
  52. Lin, C. L.; Su, M. D.; Chu, S. Y. "Substituent Efect on the Stabilization of a Germanium-Sulfur Double Bond. Chem. Phys. Lett, 2001, 339, 147.(SCI)
  53. Lai, C. H.; Su, M. D.; Chu, S. Y. “Theoretical study of the relative stabilities of arsasilenes and arsasilynes”, Organometallics, 2001, 21, 397.(SCI)
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