Conference Papers

  1. J.-S.K.Yu*, “Theoretical Investigation on the Structures and Photoionizations of Quintuply-Bonded Dichromium Complexes”, invited lecture in the 13th International Annual Symposium on Computational Science and Engineering (ANSCSE 13), March 25-27, 2009, Kasetsart University, Bangkok, Thailand.
  2. J.-S.K.Yu* and Y.-C. Tsai, “Theoretical Investigation on the Structures and Bonding Characters of Quintuply-Bonded Dichromium Complexes”, 97年化學年會邀請演講(計算化學組), December 6-7, 2008, National Changhua University of Education, Changhua, Taiwan.
  3. J.-S.K.Yu* and Y.-C. Tsai, “Theoretical Investigation on the Structural Distortion in Quintuply-Bonded Dichromium Complexes”, oral communication in the 8th Congress of the World Association of Theoretically Oriented Chemists (WATOC 2008), September 14-19, 2008, Sydney, Australia.
  4. J.-S.K.Yu*, “Theoretical Investigations of Characteristic Metal-Metal Bonding Systems”, invited lecture in the 12th Annual Symposium on Computational Science and Engineering (ANSCSE 12), March 27-29, 2008, Ubon Rajathanee University, Ubon Ratchathani, Thailand.
  5. J.-S.K.Yu*, “Potential energy surface of structural change in the reduction reaction involving zinc-zinc bonding: A theoretical study”, Pure and Applied Chemistry International Conference (PACCON 2008), January 30 - February 1, 2008, Sofitel Centara Grand, Bangkok, Thailand.
  6. J.-S.K.Yu* and Y.-C. Tsai, “Theoretical investigation on the potential energy surface of reduction reaction involving zinc-zinc bonding”, The Third International Symposium on Chemistry of Coordination Space (ISCCS 2007), December 9-12, 2007, Awaji Yumebutai International Conference Center, Awaji, Hyogo, Japan.
  7. J.-S.K.Yu*, “Theoretical investigation on the metal-metal quadruple bonding in (SiH40C26N2)Mo-Mo(N2C26H40Si) complex”, The XIIth International Congress of Quantum Chemistry (XII ICQC), May 21-26, 2006, Kyoto TERRSA, Kyoto, Japan.
  8. J.-S.K.Yu and C.-H. Yu, " The Isomerization Reaction of 5,7-Diphenylthio-phenesultine and 4,6-Diphenylthiophenesulfolene: A DFT Study ", The 2nd Asian Pacific Conference on Theoretical and Computational Chemistry (APACTC-2), May 2-6, 2005, Chulalongkorn University, Bangkok, Thailand.
  9. J.-S.K.Yu, J.- K. Hwang, Wei-Chen Chen and C.-H. Yu, " Theoretical Study on the Substrate Binding of 4-Nitrophenol: Spectral Shift, Solvent Effect and Hydrogen Bond ", The 1st Asia-Pacific International Peptide Symposium - The 41st Japanese Peptide Symposium (APIPS-JPS 2004), October 31 - November 3, 2004, Fukuoka International Congress Center, Fukuoka, Japan.
  10. J.-S.K.Yu, J.-K. Hwang, and C.-H. Yu, "Theoretical Study on Polymeric Electroluminescent Phenylene Vinylenes: A Comparison among Excited-State Methods", The 1st Asian Pacific Conference on Theroretical and Computational Chemistry, May 12 - 15, 2004, Okazaki, Japan.
  11. J.-S.K.Yu*, J.-K. Hwang, and C.-H. Yu, "An Optimized System Aiming at Electronic Structure Calculations: Architectures, Compilers and Numerical Libraries on PC-Linux Platforms", 2004年尖端化學系列 - 理論化學研討會邀請演講, April 30, 2004, Tamsui, Taipei, Taiwan.
  12. J.-S.K.Yu, J.-K. Hwang, C. Y. Tang and C.-H. Yu, "Updated numerical performance and throughput benchmark for electronic structure calculations in PC-Linux systems", The 227th ACS National Meeting, March 28 - April 1, 2004, Anaheim, California, USA.
  13. J.-S.K.Yu and C.-H. Yu, "A CASSCF study of the electronic excited states of non-linear carbon disulfide", The XIth International Congress of Quantum Chemistry, July 20-25, 2003, Bonn, Germany.
  14. J.-S.K.Yu and C.-H. Yu, "Time-dependent DFT studies of electroluminescent polymers with symmetry restriction", The 225th ACS National Meeting, March 23-27, 2003, New Orleans, Louisiana, USA.
  15. J.-S.K.Yu and C.-h. Yu, "Recent Advances in PC-Linux Systems for Electronic Structure Computations by the Optimized Compilers and Numerical Libraries", The 223rd ACS National Meeting, April 7-11, 2002, Orlando, Florida, USA.
  16. J.-S.K.Yu and C.-h. Yu, "The Electronic Spectra of Poly(p-phenylene vinylene) and Its Derivatives with Time-Dependent DFT", The 9th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics, September 10-14, 2001, San Lorenzo de El Escorial, Madrid, Spain.
  17. J.-S.K.Yu and C.-h. Yu, "The Evaluation of the Ionization Energy for Alkyl Halides: A Designated Single-Configuration CASSCF (DSC-CAS) Method", The 14th Canadian Symposium on Theoretical Chemistry, August 4-9, 2001, Ottawa, Canada.
  18. J.-S.K.Yu and C.-h. Yu, "Non-Linear Fitting of Global Potential Energy Surface with the Decomposition Channels of Carbene", 1999 American Conference on the Theoretical Chemistry, June 27 - July 2, 1999, Boulder, Colorado, U.S.A.
  19. B.-M. Cheng, E. P. Chew, J.-S.K.Yu and C.-h. Yu, "Photoionization Efficiency Spectrum and Ionization Energy of CH3SCl", Annual Meeting of the Chinese Chemical Society, November 1998, Chia-yi, Taiwan.
  20. J.-S.K.Yu and C.-h. Yu, "Benchmarks of the PC-UNIX Computer with Electronic Structure Calculation", The Second Conference for Worldwide Chinese Young Chemists, December 20-23, 1997, Hong Kong.
  21. J.-S.K.Yu and C.-h. Yu, "Ab Initio Study on the Decomposition Reaction of Formaldehyde", 1996 American Conference on the Theoretical Chemistry, July  20-25, 1996, Park City, Utah, U.S.A.
  22. J.-S.K.Yu and C.-h. Yu, "Ab Initio Study on Formaldehyde Decomposition Reaction", Annual Meeting of the Chinese Chemical Society, November 1994, Hsinchu, Taiwan.