Publications

2021

2021

  • Natural Reaction Orbitals for Characterizing Electron Transfer Responsive to Nuclear Coordinate Displacement
    S. Ebisawa, M. Hasebe, T. Tsutsumi, T. Tsuneda, T. Taketsugu, Phys. Chem. Chem. Phys., 2021, 24, 3532-3545
    DOI: 10.1039/d1cp04491e
  • Tyrosine-Based Photoluminescent Diketopiperazine Supramolecular Aggregates
    N. Shimosaraya, T. Sotani, Y. Miyagi, E. A. Q. Mondarte, K. Suthiwanich, T. Hayashi, Y. Nagata, H. Sogawa, F. Sanda, Soft Matter, 2021, 18, 137-145
    DOI: 10.1039/d1sm01206a
  • Flexibility Control of Two-Dimensional Coordination Polymers by Crystal Morphology: Water Adsorption and Thermal Expansion
    R. Ohtani, H. Yoshino, J. Yanagisawa, H. Ohtsu, D. Hashizume, Y. Hijikata, J. Pirillo, M. Sadakiyo, K. Kato, Y. Shudo, S. Hayami, B. Le Ouay, M. Ohba, Chem. Eur. J., 2021, 27, 18135-18140
    DOI: 10.1002/chem.202103404
  • Overlap Concentration in Salt-Free Polyelectrolyte Solutions
    J. A. Bollinger, G. S. Grest, M. J. Stevens, M. Rubinstein, Macromolecules, 2021, 54, 10068-10073
    DOI: 10.1021/acs.macromol.1c01491
  • Tiny yet Tough: Maximizing the Toughness of Fiber-Reinforced Soft Composites in the Absence of a Fiber-Fracture Mechanism
    W. Cui, Y. W. Huang, L. Chen, Y. Zheng, Y. Saruwatari, C. Y. Hui, T. Kurokawa, D. R. King, J. P. Gong, Matter, 2021, 4, 3646-3661
    DOI: 10.1016/j.matt.2021.08.013
  • A Simplified Methodology for the Modeling of Interfaces of Elementary Metals
    Y. Hinuma, I. Takigawa, M. Kohyama, S. Tanaka, Aip Advances, 2021, 11,
    DOI: 10.1063/5.0063715
  • Barium Oxide Encapsulating Cobalt Nanoparticles Supported on Magnesium Oxide: Active Non-Noble Metal Catalysts for Ammonia Synthesis under Mild Reaction Conditions
    K. Sato, S. Miyahara, K. Tsujimaru, Y. Wada, T. Toriyama, T. Yamamoto, S. Matsumura, K. Inazu, H. Mohri, T. Iwasa, T. Taketsugu, K. Nagaoka, Acs Catalysis, 2021, 11, 13050-13061
    DOI: 10.1021/acscatal.1c02887
  • Loss of FAM83H Promotes Cell Migration and Invasion in Cutaneous Squamous Cell Carcinoma via Impaired Keratin Distribution
    K. Tokuchi, S. Kitamura, T. Maeda, M. Watanabe, S. Hatakeyama, S. Kano, S. Tanaka, H. Ujiie, T. Yanagi, Journal of Dermatological Science, 2021, 104, 112-121
    DOI: 10.1016/j.jdermsci.2021.09.007
  • Reply to the 'Comment on "Theoretical Investigations on Hydrogen Peroxide Decomposition in Aquo"' by W. H. Koppenol, Phys. Chem. Chem. Phys., 2021, 23, DOI: 10.1039/D1CP03545B
    T. Tsuneda, T. Taketsugu, Phys. Chem. Chem. Phys., 2021, 23, 26006-26008
    DOI: 10.1039/d1cp04003k
  • Structure Frustration Enables Thermal History-Dependent Responsive Behavior in Self-Healing Hydrogels
    C. T. Yu, K. P. Cui, H. L. Guo, Y. N. Ye, X. Y. Li, J. P. Gong, Macromolecules, 2021, 54, 9927-9936
    DOI: 10.1021/acs.macromol.1c01461
  • Atom-to-Atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies
    A. Lin, N. Dyubankova, T. I. Madzhidov, R. I. Nugmanov, J. Verhoeven, T. R. Gimadiev, V. A. Afonina, Z. Ibragimova, A. Rakhimbekova, P. Sidorov, A. Gedich, R. Suleymanov, R. Mukhametgaleev, J. Wegner, H. Ceulemans, A. Varnek, Molecular Informatics, 2021, 41,
    DOI: 10.1002/minf.202100138
  • Structural Characterization of Nickel-Doped Aluminum Oxide Cations by Cryogenic Ion Trap Vibrational Spectroscopy
    Y. K. Li, M. C. Babin, S. Debnath, T. Iwasa, S. Kumar, T. Taketsugu, K. R. Asmis, A. Lyalin, D. M. Neumark, J. Phys. Chem. A, 2021, 125, 9527-9535
    DOI: 10.1021/acs.jpca.1c07156