主要な論文

2023年

The geometry of calix[3]pyrrole in solution and the formation of calix[3]pyrrole·F- complex
R. Saha, J. Pirillo, Y. Ide, Y. Inokuma, and Y. Hijikata,
Theor. Chem. Acc. , 2023 , Accepted
DOI: 10.1007/s00214-023-02982-1
Early-stage formation of the SIFSIX-3-Zn metal-organic framework: An automated computational study
B. B. Skjelstand, Y. Hijikata, S. Maeda,
Irong. Chem. , 2023, 62, 1210-1217
DOI: 10.1021/acs.inorgchem.2c03681

2022年以前の主要論文

Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketone
Y. Ide, Y. Manabe, Y. Inaba, Y. Kinoshita, J. Pirillo, Y. Hijikata, T. Yoneda, K. I. Shivakumar, S. Tanaka, H. Asakawa, Y. Inokuma,
Chem. Sci. , 2022, 13, 9848-9854
DOI: 10.1039/D2SC03083G,
Strain-induced ring expansion reactions of calix[3]pyrrole-related macrocycles
Y. Inaba, Y. Kakibayashi, Y. Ide, J. Pirillo, Y. Hijikata, T. Yoneda, Y. Inokuma,
Chem. Eur. J. , 2022, 28, e202200056
DOI: 10.1002/chem.202200056
Encapsulation of aromatic guests in bisporphyrin cavity of a double-stranded spiroborate helicate: thermodynamic and kinetic studies and encapsulation mechanism
N. Ousaka, S. Yamamoto, H. Iida, T. Iwata, S. Ito, R. Souza, Y. Hijikata, S. Irle, E. Yashima,
J. Org. Chem. , 2021 , 86 , 10501–10516
DOI: 10.1021/acs.joc.1c01155,
Trans-influence across a metal–metal bond of a paddle-wheel unit on interaction with gases in a metal-organic framework
J. Pirillo, Y. Hijikata,
Chem. Lett. , 2020 , 59 , 1193–1203
DOI: 10.1021/acs.inorgchem.9b02911,
The helix-inversion mechanism in double-stranded helical oligomers bridged by rotary cyclic boronate esters
T. Hayashi, K. H. Lee, H. Iida, E. Yashima, S. Irle, Y. Hijikata,
J. Comput. Chem. , 2019, 40 , 2036–2042
DOI: 10.1002/jcc.25856,
Structural transformation of graphene exposed to nitrogen plasma: quantum chemical molecular dynamics simulations
S. Moon, Y. Hijikata, S. Irle,
Phys. Chem. Chem. Phys. , 2019, 21 , 12112–12120
DOI: 10.1039/c8cp06159a,
Chiral-selective etching effects on carbon nanotube growth at edge carbon atoms
R. Kimura, Y. Hijikata, C. A. Eveleens, A. J. Page, S. Irle,
J. Comput. Chem. , 2019, 40, 375–380
DOI: 10.1002/jcc.25610
Theoretical analysis of structural diversity of covalent organic framework: Stacking isomer structures thermodynamics and kinetics
T. Hayashi, Y. Hijikata, A. Page, D. Jiang, S. Irle,
Chem. Phys. Lett. , 2016 , 664 , 101–107
DOI: 10.1016/j.cplett.2016.09.071,
Interaction of various gas molecules with paddle-wheel-type open metal sites of porous coordination polymers: theoretical investigation
Y. Hijikata, S. Sakaki,
Inorg. Chem. , 2014 , 53 , 2417–2426
DOI: 10.1021/ic402172v,
Pore design of two-dimensional coordination polymers toward selective adsorption
Y. Hijikata, S. Horike, M. Sugimoto, M. Inukai, T. Fukushima, S. Kitagawa,
Chem. Commun. , 2013, 52 , 3634–3642
DOI: 10.1021/ic302006x,
Differences of crystal structure and dynamics between soft porous nanocrystal and bulk crystal
Y. Hijikata, S. Horike, D. Tanaka, J. Groll, M. Mizuno, J. Kim, M. Takata, S. Kitagawa,
Chem. Commun. , 2011, 47 , 7632–7634
DOI: 10.1039/c1cc10983a,
Relationship between channel and sorption properties in coordination polymers with interdigitated structures
Y. Hijikata, S. Horike, M. Sugimoto, H. Sato, R. Matsuda, S. Kitagawa,
Chem. Eur. J. , 2011, 17 , 5138–5144
DOI: 10.1002/chem.201003734,
Solving non-Born-Oppenheimer Schrödinger equation for hydrogen molecular ion and its isotopomers using the free complement method
Y. Hijikata, H. Nakashima, H. Nakatsuji,
J. Chem. Phys. , 2009, 130 , 024102–1–11
DOI: 10.1063/1.3048986,