Torii Hajime

• 2022 - 2025 Foundation and application of the image analysis method of intermolecular interactions based on electron density changes
• 2022 - 2024 Electronic structural analysis of the characteristic spectral changes occurring on the interfaces between material molecules and water
• 2020 - 2022 Development of the method of generation and application of the electrostatic polarization model of hydrogen-bonded systems based on statistical analysis of electron density changes
• 2019 - 2022 Theoretical analysis on the intermediate length-scale structural formation induced by concerted intermolecular interactions and the possibility of its spectroscopic detection
• 2016 - 2019 Unified understanding on the changes in vibrational spectra arising from responses to external electric field and intermolecular interactions of hydrogen-bonded systems
2016 - 2018 Structural Formation, Dynamical Behavior, and Spectra of Complex Interaction Systems of Water, Ions, and Biomolecules
2014 - 2016 Theoretical Analysis of the Intensities and Shapes of Vibrational Spectra Arising from Complex Intermolecular Interactions of Biomolecules and Water
2013 - 2016 Analysis of the concerted effects of electrons and molecular motions in the response of hydrogen-bonding liquid systems to terahertz radiation
2010 - 2012 Theories of analysis for better understanding on the changes in vibrational band intensities and shapes induced by intermolecular interactions
2008 - 2010 Analysis of the changes in shapes of the frequency- and time-domain vibrational spectroscopic signals arising from temporal and spatial fluctuations in complex liquid systems
2006 - 2009 Elucidation of the physicochemical picture of halogen bonding and application to supramolecular chemistry
2007 - 2008 Effects of the inhomogeneity and fluctuations in liquid structures and vibrational interactions on the vibrational spectra of mixed liquid systems
2006 - 2008 Structural formation, dynamics, and dynamical behavior of vibrational excitations in protein-water systems
2004 - 2006 Analysis of the nanometer-scale structures in condensed-phase systems using intermolecular resonant vibrational interactions
2004 - 2006 Intermolecular interactions and cooperativity of vibrational dynamics in proteins and water
2003 - 2005 Re-examination of the concept of electronegativity viewed through intermolecular interactions
2001 - 2003 Resonant excitation transfer of molecular vibrations and time-domain optical processes in liquids and proteins
2000 - 2002 Dynamics of the infrared and Raman excitations delocalized in conjugated pi-electron systems, proteins, and liquids
1999 - 2001 Studies on the role of electronic and vibrational interactions on various optical properties of conjugated pi-electron systems
1997 - 1999 Studies on the infrared and Raman intensities and the electronic and vibrational interactions of conjugated pi-electron systems
1996 - 1997 Studies on the hydrogen bonding and interactions between molecular vibrations of peptide groups
1993 - 1994 Studies of Functional Molecules by Vibrational Spectroscopy
1993 - 1994 Development of new methods of analysis of the amide I infrared band of proteins

• Hajime Torii. Roles of electrostatics and intermolecular electronic motions in the structural and spectroscopic features of hydrogen- and halogen-bonded systems. Pure and Applied Chemistry. 2024
• Hajime Torii. Intermolecular charge fluxes and terahertz spectral features of liquid methanol. Journal of Molecular Liquids. 2023. 390. 123111-123111
• Hajime Torii, Kao Watanabe. Asymmetry of the Electrostatic Environment as the Origin of the Symmetry Breaking Effect of the Nitrate Ion in Aqueous Solution. The Journal of Physical Chemistry B. 2023. 127. 29. 6507-6515
• Takanori Sakai, Hajime Torii. Substituent Effect and Its Halogen-Atom Dependence of Halogen Bonding Viewed through Electron Density Changes. Chemistry - An Asian Journal. 2023. 18. 3. e202201196-e202201196
• Hajime Torii, Akari Kimura, Takanori Sakai. Nature of hydrogen-bond-enhanced halogen bonding viewed through electron density changes. Physical Chemistry Chemical Physics. 2022. 24. 30. 17951-17955

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• Hajime Torii. What electron densities and their changes tell us about intermolecular interactions. INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING ICCMSE 2021. 2022. 2611. 020003
• Toshiyuki Takamuku, Hajime Torii. Preface. Journal of Molecular Liquids. 2020. 300. 112196-112196
• Hajime Torii. New Twist in the Theories on the Secondary Structure Dependence and Hydration Effect of the Vibrational Properties of Peptides. Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2016 (ICCMSE-2016). 2016. 1790
• Hajime Torii. Simulations of the THz Spectrum of Liquid Water Incorporating the Effects of Intermolecular Charge Fluxes through Hydrogen Bonds. INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2015 (ICCMSE 2015). 2015. 1702
• Hajime Torii. Time-Domain Calculations of the 1D and 2D Spectra of Resonantly-Coupled Vibrations in Liquids and Proteins. INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009). 2012. 1504. 961-964

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• Vibrational Spectroscopy
  Metal Ions and Complexes in Solution, Coordination Chemistry Fundamentals Series No. 2, T. Yamaguchi, I. Persson, eds, Royal Society of Chemistry, London 2023
• Responses of molecular vibrations to intermolecular electrostatic interactions and their effects on vibrational spectroscopic features
  Atoms, molecules and clusters in electric fields. Theoretical approaches to the calculation of electric polarizability, G. Maroulis, ed, Imperial College Press 2006
• Computational methods for analyzing the intermolecular resonant vibrational interactions in liquids and the noncoincidence effect of vibrational spectra
  Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations, J. Samios and V. A. Durov, eds, Kluwer 2004
• Use of group theory for band assignment and structure correlation
  Handbook of Vibrational Spectroscopy, J. M. Chalmers and P. R. Griffiths, eds, John Wiley & Sons, Ltd 2002
• Theoretical analyses of the amide I infrared bands of globular proteins
  Infrared Spectroscopy of Biomolecules Edited by H. H. Mantsch and D. Chapman, Wiley-Liss, Inc. 1996

• 電子密度を参照することによる分子間相互作用と分子振動モード特性の解析
  (第17回分子科学討論会 2023)
• Roles of electrostatics and intermolecular electronic motions in the structural and spectroscopic features of hydrogen- and halogen-bonded systems
  (38th International Conference on Solution Chemistry (38ICSC) 2023)
• What electron densities and their changes tell us about intermolecular interactions
  (Quantum Science Symposium, in the 17th International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2021) 2021)
• Vibrational spectroscopy empowered by theoretical analysis: The principles and a few example cases
  (10th International Conference on Advanced Vibrational Spectroscopy (ICAVS-10) 2019)
• Electrostatics and intermolecular electronic motions determining the vibrational spectroscopic features of hydrogen-bonded systems
  (Telluride SRC Workshop on Vibrational Dynamics 2017)

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• - 1992 The University of Tokyo
• - 1992 The University of Tokyo Graduate School, Division of Science
• - 1987 The University of Tokyo Faculty of Science
• - 1987 The University of Tokyo Faculty of Science

• Ph. D. (The University of Tokyo)

• 2008/11 - 溶液化学研究会 溶液化学研究会学術賞 液体とタンパク質水溶液の振動スペクトルと分子間相互作用の理論的解析
• 2005/08 - 公益信託分子科学研究奨励森野基金研究奨励 (課題名:複数成分系の液体における構造形成・ダイナミクスと振動モード間相互作用の理論的研究)
• 2000/05 - 日本分光学会論文賞 (課題名:振動スペクトルのノンコインシデンス効果と液体の構造)
• 1993/02 - 井上研究奨励賞 (課題名:タンパク質及び液相分子系の分光学的研究)

Japan Association of Solution Chemistry ,  Japanese Molecular Liquids Group ,  The Spectroscopical Society of Japan ,  The Biophysical Society of Japan ,  The American Chemical Society ,  The Chemical Society of Japan ,  The World Association of Theoretically Oriented Chemists ,  American Physical Society ,  日本コンピュータ化学会 ,  分子シミュレーション学会 ,  分子科学会 ,  理論化学会