Hiromi Nakai
Waseda University
H-index: 50
Asia-Japan
Top articles of Hiromi Nakai
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Ring-opening polymerization of ε-caprolactone by Zr (IV) tris (β-diketonates): Electronic character of complexes in initiation and propagation steps | Inorganica Chimica Acta | Muhammad Yusuf Nova Pratiwi Indriyani Aditya Wibawa Sakti Hiromi Nakai I Made Arcana | 2024/2/1 |
Density-Functional Tight-Binding Molecular Dynamics Study on Fixation Reaction of CO2 to Styrene Oxide Catalyzed by Mg-MOF-74 Metal-Organic Framework | Chemistry Letters | Chien-Pin Chou Aditya Wibawa Sakti Yuta Tsuchiya Yasushi Sekine Hiromi Nakai | 2024/1/16 |
Exploring multiple reaction pathways in the proteolysis of SARS-CoV-2 main protease through large-scale quantum molecular dynamics | Junichi Ono Uika Koshimizu Yoshifumi Fukunishi Hiromi Nakai | 2024/3/21 | |
Range Separation Method for Density Functional Theory Based on Two-Electron Infinite-Order Two-Component Hamiltonian | Journal of Chemical Theory and Computation | Chinami Takashima Hiromi Nakai | 2024/1/9 |
Fabrication of solid polymer electrolyte based on carboxymethyl cellulose complexed with lithium acetate salt as Lithium‐ion battery separator | Polymer Composites | Dhea Afrisa Darmawan Evi Yulianti Qolby Sabrina Kensuke Ishida Aditya Wibawa Sakti | 2024/2/20 |
Factors Governing Protonation of Keggin-type Polyoxometalates: Influence of Core Structure in Clusters | Dalton Transactions | Hiroshi Sampei Hiromu Akiyama Koki Saegusa Masahiro Yamaguchi Shuhei Ogo | 2024 |
Comprehensive image dataset for enhancing object detection in chemical experiments | Data in Brief | Ryosuke Sasaki Mikito Fujinami Hiromi Nakai | 2024/2/1 |
Evaluation of picture change effects on fractional occupation number states in noble gas atoms | Theoretical Chemistry Accounts | Chinami Takashima Hiromi Nakai | 2024/2 |
Born–Oppenheimer molecular dynamics study on collective protein dynamics invoked by ultrafast photoisomerization of retinal chromophore in bacteriorhodopsin | Chemical Physics Letters | Hiromi Nakai Hiroki Uratani Toshiki Morioka Junichi Ono | 2023/11/1 |
Species-selective nanoreactor molecular dynamics simulations based on linear-scaling tight-binding quantum chemical calculations | The Journal of Chemical Physics | Yoshifumi Nishimura Hiromi Nakai | 2023/2/7 |
Matrix-decomposed two-electron integrals in the infinite-order two-component Hamiltonian | Chemical Physics Letters | Chinami Takashima Hiromi Nakai | 2023/10/1 |
Divide-and-Conquer Linear-Scaling Quantum Chemical Computations | Hiromi Nakai Masato Kobayashi Takeshi Yoshikawa Junji Seino Yasuhiro Ikabata | 2023/1/11 | |
Neutral-to-ionic photoinduced phase transition of tetrathiafulvalene-p-chloranil by electronic and vibrational excitation: A real-time nuclear–electronic dynamics simulation study | The Journal of Chemical Physics | Tatsuki Hanada Hiroki Uratani Hiromi Nakai | 2023/8/7 |
Advanced Quantum Chemical Methods for Open-Shell Systems | Hiromi Nakai | 2023/1/1 | |
Unveiling controlling factors of the S0/S1 minimum-energy conical intersection (3): Frozen orbital analysis based on the spin-flip theory | The Journal of Chemical Physics | Takeshi Yoshikawa Yasuhiro Ikabata Hiromi Nakai Kentaro Ogawa Ken Sakata | 2023/5/28 |
Enabling large-scale quantum path integral molecular dynamics simulations through the integration of Dcdftbmd and i-PI codes | The Journal of Chemical Physics | Yoshifumi Nishimura Hiromi Nakai | 2023/4/28 |
Quantum mechanical assessment on the optical properties of capsanthin conformers | Journal of Computational Chemistry | Permono Adi Putro Aditya Wibawa Sakti Faozan Ahmad Hiromi Nakai Husin Alatas | 2023/11/15 |
Nanoscale and real-time nuclear–electronic dynamics simulation study of charge transfer at the donor–acceptor interface in organic photovoltaics | The Journal of Physical Chemistry Letters | Hiroki Uratani Hiromi Nakai | 2023/2/24 |
Tetraaryldiborane (4) can emit dual fluorescence responding to the structural change around the B–B bond | Angewandte Chemie International Edition | Yoshiaki Shoji Naoki Tanaka Yasuhiro Ikabata Hayato Sakai Taku Hasobe | 2022/1/3 |
Multiscale simulation of irregular shape evolution during the initial stage of Zn electrodeposition on a negative electrode surface | The Journal of Physical Chemistry C | Yusuke Onabuta Masahiro Kunimoto Songyi Wang Yasuhiro Fukunaka Hiromi Nakai | 2022/3/15 |
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