研究業績
【最近の主な研究論文・総説】  
  1. T. Matsuoka, S. Yabushita, "Quantum Interference Effects Theoretically Found in the Photodissociation Processes of the Second Absorption Bands of ICl and IBr Molecules”, J. Phys. Chem. A, 119, 9609-9620 (2015).
  2. H. Takahashi, K. Takahashi, S. Yabushita, “Interpretation of Semiclassical Transition Moments through Wave Function Expansion of Dipole Moment Functions with Applications to the OH Stretching Spectra of Simple Acids and Alcohols”, J. Phys. Chem, A. 119, 4834-4845 (2015).
  3. Y. Hiruta, H. Koiso, H. Ozawa, H. Sato, K. Hamada, S. Yabushita, D. Citterio, K. Suzuki, "Near IR Emitting Red-Shifting Ratiometric Fluorophores Based on Borondipyrromethene", Organic Letters, 17, 3022-3025 (2015).
  4. H. Ozawa, K. Yashiro, and S. Yabushita, “A two-step electron-driven proton transfer mechanism for the solution-phase nonradiative decay process of squaraine molecule", Chem. Phys. Lett., 625 (2015) 78-83.
  5. M. Morita, H. Takahashi, S. Yabushita, K. Takahashi, “Why does the IR spectrum of hydroxide stretching vibration weaken with increase in hydration?”, Phys. Chem. Chem. Phys., 16, 23143-23149 (2014).
  6. H. Ozawa, K. Yashiro, T. Yamamoto, S. Yabushita, “Theoretical study of the electronic excited states and fluorescence spectra of squaraine in solutions", J. Sol. Chem. 43, 1625-1643 (2014); E 1644.
  7. R. Matsuzaki, S. Asai, C. W. McCurdy, S. Yabushita, “Construction of complex STO-NG basis sets by the method of least squares and their applications”, Theor. Chem. Acc., 133, 1521 (2014).
  8. M. Hatanaka, S. Yabushita, ”Mechanisms of f-f hypersensitive transition intensities of lanthanide trihalide molecules: A spin-orbit configuration interaction study”, Theor. Chem. Acc, 133, 1517 (2014).
  9. N. Hosoya, R. Takegami, J. Suzumura, K. Yada, K. Miyajima, M. Mitsui, M. B. Knickelbein, S. Yabushita, A. Nakajima, “Formation and electronic structures of organoeuropium sandwich nanowires”, J. Phys. Chem. A, 118, 8298-8308 (2014).
  10. N. Hosoya, K. Yada, T. Masuda, E. Nakajo, S. Yabushita, A. Nakajima, ”Investigation of the electronic structures of organolanthanide sandwich complex anions by photoelectron spectroscopy: 4f orbital contribution in the metal–ligand interaction”, J. Phys. Chem. A, 118, 3051-3060 (2014).
  11. 藪下 聡, 「直接スピン軌道CI法における群論の利用」, J. Comp. Chem. Jpn, 13, 43-49 (2014).
  12. T. Matsuoka, S. Yabushita, "Theoretical study on the photofragment branching ratios and anisotropy parameters of ICl in the second absorption band", Chem. Phys. Lett., 592 (4-6), 75-79 (2014).
  13. H. Takahashi, S. Yabushita, “Theoretical analysis of weak adjacent substituent effect on the overtone intensities of XH (X = C, O) stretching vibrations”, J. Phys. Chem., A117, 5491-5502 (2013).
  14. T. Matsuoka, S. Oonishi, S. Yabushita, “Theoretical study on angular momentum polarization parameters, branching ratios, and anisotropy parameters of chlorine atoms from photodissociation of iodine monochloride”, Int. J. Quant. Chem., 113, 375-381 (2013).
  15. M. Hatanaka, S. Yabushita,“An ab initio study on the f-f hypersensitive transition intensities of lanthanide tribromide molecules”, Chem. Phys. Lett., 504, 193-198 (2011).
  16. 藪下 聡, 「量子論はどのようにして生まれたのか」、化学と教育、58巻, 418-421 (2010).
  17. 藪下 聡, 「シュレディンガー方程式をどう考えどう使うのか」、化学と教育、58巻, 422-427 (2010).
  18. 菅原道彦, 「光・レーザーであやつる化学反応光・レーザーであやつる化学反応」, 化学と教育, 58巻, 532-535 (2010).
  19. M. Sugawara, “Laser control of a multilevel quantum system as static parameter optimization with the help of effective decomposition”, Phys. Rev. A 81、013410 (2010).
  20. M. Hatanaka, S. Yabushita, “Theoretical Study on the f-f Transition Intensities of Lanthanide Trihalide Systems”, J. Phys. Chem. A113, 12615-12625 (2009).
  21. M. Morita, S. Yabushita, “Photoionization cross sections of H2+ and H2 with complex Gaussian-type basis functions optimized for the frequency-dependent polarizabilities”, J. Comp. Chem., 29, 2471-2478 (2008).
  22. A. Goto, S. Yabushita, “Theoretical study on the spin states and intra-cluster spin relaxation of the one-dimensional metal-benzene sandwich clusters: M2(C6H6)3 (M=Sc,Ti,V)”, Chem. Phys. Lett., 454, 382-386 (2008).
  23. M. Morita, S. Yabushita, “Calculations of photoionization cross sections with variationally optimized complex Gaussian-type basis functions”, Chem. Phys., 349, 126-132 (2008).
  24. M. Morita, S. Yabushita, “Photoionization cross sections with optimized orbital exponents within the complex basis function method”, J. Comp. Chem., 29, 2317-2329 (2008).
  25. M. Sugawara, M. Tamaki, and S. Yabushita, “A New Control Scheme of Multilevel Quantum System Based on Effective Decomposition by Intense CW Lasers”, J. Phys. Chem., A111, 51, 9446-9453 (2007).
  26. R. Nakanishi, N. Saito, T. Ohno, S. Kowashi, S. Yabushita, and T. Nagata, “Photodissociation of gas-phase I3- : Comprehensive understanding of nonadiabatic dissociation dynamics”, J. Chem. Phys., 126 , 204311 (2007)
  27. 藪下 聡、「ライフコンジュゲートケミストリー」IV編4章、分子の本質を解く、p289-303 三共出版(2006)
  28. M. Sugawara, “Measurement-assisted quantum dynamics control of 5-level system using intense CW-laser fields”, Chem. Phys. Lett., 428, 457-460 (2006).
  29. M. Sugawara, “Quantum dynamics driven by continuous laser fields under measurements: Towards measurement-assisted quantum dynamics control”, J. Chem. Phys., 123, 204115 (2005).
  30. R. Takegami, N. Hosoya, J. Suzumura, K. Yada, A. Nakajima, S. Yabushita, “Ionization Energies and Electron Distributions of One-End Open Sandwich Clusters: Eun(C8H8)n (n=1-4)”, Chem. Phys. Lett. , 403, 169-174 (2005).
  31. K. Takahashi, M. Sugawara, S. Yabushita, “Effective One-Dimensional Dipole Moment Function for the OH Stretching Overtone Spectra of Simple Acids and Alcohols”, J. Phys. Chem., A 109, 4242-4251 (2005).
  32. R. Takegami, N. Hosoya, J. Suzumura, A. Nakajima, and S. Yabushita, “Geometric and Electronic Structures of Multiple-Decker One-End Open Sandwich Clusters: Eun(C8H8)n- (n=1-4)”, J. Phys. Chem., A109, 2476-2486 (2005).
  33. R. Takegami, and S. Yabushita, “Theoretical Study on the Photoabsorption in the Herzberg I Band System of the O2 Molecule”, J. Molec. Spectr., 229, 63-77 (2005).
  34. M. Sugawara, M. Yamanouchi, and S. Yabushita, “Laser Field Designing by Evolutionary Algorithm for Coherent Control of Molecular Dynamics”, Chem. Phys. Lett., 396 136-141 (2004).
  35. Y. Asano, A. Murakami, T. Kobayashi, D. Guillaumont, S. Yabushita, M. Irie, S. Nakamura, “Theoretical Study on the Photochromic Reactions of Dithienylethenes; On the Role of Conical Intersections”, J. Amer. Chem. Soc., 126, 12112-12120 (2004).
  36. 藪下 聡、日本化学会編、第5版 実験化学講座12, 丸善(2004)、p81-87 1.7.3 相対論的効果、p225-235 2.3.7 励起状態と電子スペクトル.
  37. 菅原道彦 , 『レーザーパルスによる新しい反応制御の可能性 - レーザー場設計のための制御理論』, システム/制御/情報, 48,119-124 (2004).