Yukichi Kitamura, Hajime Torii. Theoretical analysis toward better description of the wavenumber shifts of the OH stretch of hydrogen-bonded water. Journal of Raman Spectroscopy. 2022
Carlos Bistafa, Yukichi Kitamura, Masataka Nagaoka. Theoretical prediction of pH-dependent electronic spectra in aqueous solution: A combinational application of QM/MM calculations and constant-pH simulations with configuration-selection scheme. Chemical Physics Letters. 2022. 798. 139624-139624
Kei TAKAMI, Yukichi KITAMURA, Masataka NAGAOKA. Performance Research of Clustering Methods for Detecting State Transition Trajectories in Hemoglobin. Journal of Computer Chemistry, Japan. 2021. 19. 4. 154-157
Yukichi Kitamura, Masataka Nagaoka. A Constant-pH Hybrid Monte Carlo Method with a Configuration-Selection Scheme Using the Zero Energy Difference Condition: Elucidation of Molecular Diffusivity Correlated with a pH-Dependent Solvation Shell. Journal of Chemical Theory and Computation. 2021. 17. 2. 1030-1044
Ikuo Kurisaki, Yume Takahashi, Yukichi Kitamura, Masataka Nagaoka. Chloride Ions Stabilize Human Adult Hemoglobin in T-State, Competing with Allosteric Interaction of Oxygen Molecules. The Journal of Physical Chemistry B. 2021
Molecular Technology, Volume 3: Materials Innovation, Eds. H. Yamamoto and T. Kato
Wiley-VCH 2019 ISBN:9783527341610
Quantum Modeling of Complex Molecular Systems (Challenges and Advances in Computational Chemistry and Physics), Eds. J.-L. Rivail. Manuel F. Ruiz-López and X. Assfeld
Springer 2015
Quantum Modeling of Complex Molecular Systems (Challenges and Advances in Computational Chemistry and Physics), Eds. J.-L. Rivail. Manuel F. Ruiz-López and X. Assfeld,
Springer 2015 ISBN:9783319216256
Practical Aspects of Computational Chemistry III, Eds. M. Shukla and J. Leszczynski
Springer 2012 ISBN:9789400709188
講演・口頭発表等 (37件):
伸縮振動モードの振動数予測モデルにおける記述子の解析
(凝集系の理論化学研究会 2023)
Theoretical analysis toward better description of the frequency shifts of the OH stretch of hydrogen-bonded water
(Asia-Pacific Association of Theoretical and Computational Chemists (APCTCC-10) 2023)
Histidine Protonation State Regulates the Structural Stability of R state Hemoglobin
(Asia-Pacific Association of Theoretical and Computational Chemists (APCTCC-10) 2023)