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論文 (26件)
- Satoshi Orikono, Kazuaki Kuwahata, Tomomi Shimazaki, Masanori Tachikawa. A theoretical study on muoniated N-heterocyclic carbenes using path integral molecular dynamics. The Journal of Chemical Physics. 2024. 161. 18
- Naoki Matsunaga, Shinya Imai, Takanori Shirokura, Yasuhide Mochizuki, Kazuaki Kuwahata, Kazuo Tsutsui, Kuniyuki Kakushima, Hitoshi Wakabayashi. Impact of Underlying Insulators on the Crystallinity and Antisite Defect Formation in PVD-MoS2 Films. IEEE Journal of the Electron Devices Society. 2024. 1-1
- Kazuaki KUWAHATA, Yukio KAWASHIMA, Atsushi FUKUSHIMA, Masanori TACHIKAWA, Miyako KUSANO. Dependence of Substituents on UV-vis Spectra and Solvent Effect of Anthocyanins by Quantum Chemical Approach. Journal of Computer Chemistry, Japan. 2024. 10. 2023-0045
- Amba Datt Pant, Akihiro Koda, Burkhard Geil, Katsuhiko Ishida, Rajendra Adhikari, Kazuaki Kuwahata, Masanori Tachikawa, Koichiro Shimomura. Formation and structure of MuOH in ice studied by muon spin rotation. Physical Review B. 2024. 110. 10
- Kotomi Nishikawa, Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa, Taro Udagawa. Nuclear quantum effects on the intramolecular hydrogen bonds in biuret and biguanide. Physical Chemistry Chemical Physics. 2024. 26. 37. 24364-24369
- Kazuaki Kuwahata, Masanori Tachikawa. Nuclear quantum effects in phase transition between Ice VII and Ice X. The Journal of Chemical Physics. 2024. 160. 21
- Taro Udagawa, Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa. Location of the Shared Proton in Proton-Bound Dimer Compound of Hydrogen Sulfate and Formate: Path Integral Molecular Dynamics Study. The Journal of Physical Chemistry A. 2024
- Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa, Taro Udagawa. Nuclear quantum and H/D isotope effects on aromaticity: path integral molecular dynamics study. Physical Chemistry Chemical Physics. 2024. 26. 29. 19934-19939
- Kazuaki Kuwahata, Shigekazu Ito, Masanori Tachikawa. A path integral molecular dynamics study on the muoniated xanthene-thione molecule. The Journal of chemical physics. 2023. 159. 10
- Taro Udagawa, Hinata Yabushita, Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa. Nuclear quantum and H/D isotope effects on intramolecular hydrogen bond in curcumin. Physical chemistry chemical physics : PCCP. 2023. 25. 23. 15798-15806
- Shigekazu Ito, Hikaru Akama, Kenji M. Kojima, Iain McKenzie, Kazuaki Kuwahata, Masanori Tachikawa. Muon Spin Rotation (μSR) for Characterizing Radical Addition to C=S in Xanthene-9-thione and Thioxanthene-9-thione. Bulletin of the Chemical Society of Japan. 2023. 96. 5. 461-464
- Taro Udagawa, Hikaru Tanaka, Tsuneo Hirano, Kazuaki Kuwahata, Masanori Tachikawa, Masaaki Baba, Umpei Nagashima. Direct Elucidation of the Vibrationally Averaged Structure of Benzene: A Path Integral Molecular Dynamics Study. The journal of physical chemistry. A. 2023. 127. 4. 894-901
- Taro Udagawa, Amane Kinoshita, Kazuaki Kuwahata, Masanori Tachikawa. A path integral molecular dynamics study on the NH4+ rotation in NH4+⋯XH2 (X = Be or Mg) dihydrogen bond systems. Physical chemistry chemical physics : PCCP. 2022. 24. 28. 17295-17302
- Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa, Taro Udagawa. Low-Barrier Hydrogen Bond in Fujikurin A-D: A Computational Study. ACS Omega. 2022. 7. 16. 14244-14251
- Taro Udagawa, Kazuaki Kuwahata, Masanori Tachikawa. Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: An ab initio path integral molecular dynamics study. COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2022. 1208
- Kazuaki Kuwahata, Masanori Tachikawa. Atomic mass dependence of the nuclear quantum effect in NH4+(H2O). Chemical Physics. 2022. 553. 111381-111381
- Kazuaki Kuwahata, Masanori Tachikawa. Path Integral Molecular Dynamics Study on NH4+ (H2O). FEW-BODY SYSTEMS. 2021. 62. 4
- Soungmin Bae, William Espinosa-Garcia, Yoon-Gu Kang, Noriyuki Egawa, Juho Lee, Kazuaki Kuwahata, Mohammad Khazaei, Kaoru Ohno, Yong-Hoon Kim, Myung Joon Han, et al. MXene Phase with C-3 Structure Unit: A Family of 2D Electrides. ADVANCED FUNCTIONAL MATERIALS. 2021. 31. 24
- Kazuaki Kuwahata, Masanori Tachikawa. Nuclear Quantum Effect on the Geometry of NH4+(H2O). BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 2020. 93. 12. 1558-1563
- Kazuaki Kuwahata, Yui Sakuma, Yukio Kawashima, Atsushi Fukushima, Umpei Nagashima, Miyako Kusano, Masanori Tachikawa. Application of Quantum Chemical Calculation for Prediction of Ultraviolet-vis Spectrum of Plant Self-protective Metabolites Produced by UV-B Irradiation. JOURNAL OF COMPUTER CHEMISTRY-JAPAN. 2019. 18. 2. 108-114
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