Publications by authors named "Kohei Tada"

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Effects of the fluorination degree in alcohols on the interaction with fluoride ions.
Nozomi Yoneda, Kohei Tada, Seiji Tsuzuki, Kazuhiko Matsumoto

Phys Chem Chem Phys· December 2025

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Unveiled open-shell nature of an antiaromatic molecule by surface-molecule interaction: a concept suggestion by spin-projected density functional theory.
Kohei Tada, Ryota Sugimori, Ryohei Kishi, Yasutaka Kitagawa

Chem Commun (Camb)· July 2025

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Comment on "Third density and acoustic virial coefficients of helium isotopologues from ab initio calculations" [J. Chem. Phys. 160, 244305 (2024)].
Kohei Tada

J Chem Phys· March 2025

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Theoretical Study on Singlet Fission Dynamics and Triplet Migration Process in Symmetric Heterotrimer Models.
Hajime Miyamoto, Kenji Okada, Kohei Tada, Ryohei Kishi, Yasutaka Kitagawa

Molecules· November 2024

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Nickel Carbide Nanoparticle Catalyst for Selective Hydrogenation of Nitriles to Primary Amines.
Sho Yamaguchi, Daiki Kiyohira, Kohei Tada, Taiki Kawakami, Akira Miura

Chemistry· March 2024

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Functionalisation of alkali-resistant nanoporous glass Au nanoparticle decoration using alkaline impregnation: catalytic activity for CO removal.
Kohei Tada, Masato Tsujiguchi, Takumi Tominaga, Masaru Iwao, Hiroaki Sakurai

RSC Adv· March 2024

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Fluoride Ion in Alcohols: Isopropanol vs Hexafluoroisopropanol.
Nozomi Yoneda, Haruka Iyama, Takashi Nagata, Masato Katahira, Yoshiki Ishii, Kohei Tada

J Phys Chem Lett· February 2024

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Model calculations for the prediction of the diradical character of physisorbed molecules: -benzyne/MgO and -benzyne/SrO.
Kohei Tada, Takashi Kawakami, Yoyo Hinuma

Phys Chem Chem Phys· November 2023

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Issues on DFT+ calculations of organic diradicals.
Kohei Tada, Yasutaka Kitagawa

Phys Chem Chem Phys· November 2023

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Elucidation of the mechanism of melamine adsorption on Pt(111) surface density functional theory calculations.
Kohei Tada, Shin-Ichi Yamazaki, Masafumi Asahi, Tsutomu Ioroi

Phys Chem Chem Phys· August 2023

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HTLV-1 bZIP factor impairs DNA mismatch repair system.
Maki Sakurada-Aono, Takashi Sakamoto, Masayuki Kobayashi, Yoko Takiuchi, Fumie Iwai, Kohei Tada

Biochem Biophys Res Commun· May 2023

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Honeycomb-Layered Oxides With Silver Atom Bilayers and Emergence of Non-Abelian SU(2) Interactions.
Titus Masese, Godwill Mbiti Kanyolo, Yoshinobu Miyazaki, Miyu Ito, Noboru Taguchi, Kohei Tada

Adv Sci (Weinh)· February 2023

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Mechanism of Reductive Fluorination by PTFE-Decomposition Fluorocarbon Gases for WO.
Hiroki Yamamoto, Kohei Tada, Jinkwang Hwang, Daigorou Hirai, Zenji Hiroi

Inorg Chem· February 2023

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Properties of spinel-type Ti-Li-M composite oxides (M = Li, Na, Cu, and Ag) predicted by density functional theory.
Kohei Tada, Mitsunori Kitta, Shingo Tanaka

Phys Chem Chem Phys· November 2022

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Effectiveness and safety of R-GCD (rituximab, gemcitabine, carboplatin, and dexamethasone) for transplant-ineligible relapse/refractory diffuse large B-cell lymphoma and grade 3a follicular lymphoma: a retrospective analysis comparing with R-GDP (rituximab, gemcitabine, cisplatin, and dexamethasone).
Ryosuke Naka, Kohei Tada, Hitomi Kaneko, Osamu Nagata, Masaharu Tashima

Leuk Lymphoma· June 2022

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Refractory immune thrombocytopenic purpura associated with IgM monoclonal gammopathy of undetermined significance: Successful treatment with tirabrutinib plus conventional therapies.
Ryosuke Naka, Hitomi Kaneko, Osamu Nagata, Kohei Tada, Masaharu Tashima

EJHaem· May 2022

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Stability of Zirconium-Substituted Face-Centered Cubic Yttrium Hydride.
Riki Kataoka, Kohta Asano, Kouji Sakaki, Mitsunori Kitta, Kohei Tada

Inorg Chem· December 2021

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Can we enhance diradical character using interaction with stoichiometric surfaces of ionic oxides? A theoretical investigation using chemical indices.
Kohei Tada, Hiroyuki Ozaki, Koji Fujimaru, Yasutaka Kitagawa, Takashi Kawakami

Phys Chem Chem Phys· November 2021

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Boosting the electrocatalytic activity of Pd/C by Cu alloying: Insight on Pd/Cu composition and reaction pathway.
Chiranjita Goswami, Himadri Saikia, Biraj Jyoti Borah, Manash Jyoti Kalita, Kohei Tada

J Colloid Interface Sci· April 2021

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How does the Li-distribution in the 16d sites determine the stability of A(Li,Ti)O (A = Li and Na)?
Kohei Tada, Hiroyuki Ozaki, Tetsu Kiyobayashi, Mitsunori Kitta, Shingo Tanaka

RSC Adv· September 2020

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Realizing the Single-Phase Spinel-Type Sodium Titanium Oxide with the LiTiO-like Structure for Building Stable Sodium-Ion Batteries.
Mitsunori Kitta, Toshikatsu Kojima, Riki Kataoka, Koji Yazawa, Kohei Tada

ACS Appl Mater Interfaces· February 2020

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Monte-Carlo simulation combined with density functional theory to investigate the equilibrium thermodynamics of electrode materials: lithium titanates as model compounds.
Hiroyuki Ozaki, Kohei Tada, Tetsu Kiyobayashi

Phys Chem Chem Phys· July 2019

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Theoretical study of correlations between the coordination structures and catalytic activities in polymer-stabilized au nanocluster catalysts.
Yoshinori Ato, Akihide Hayashi, Hiroaki Koga, Kohei Tada, Takashi Kawakami

J Comput Chem· January 2019

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Extent of Spin Contamination Errors in DFT/Plane-wave Calculation of Surfaces: A Case of Au Atom Aggregation on a MgO Surface.
Kohei Tada, Tomohiro Maruyama, Hiroaki Koga, Mitsutaka Okumura, Shingo Tanaka

Molecules· January 2019

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Theoretical investigation on the interaction between Rh octaethylporphyrin and a graphite basal surface: a comparison study of DFT, DFT-D, and AFM.
Kohei Tada, Yasushi Maeda, Hiroyuki Ozaki, Shingo Tanaka, Shin-Ichi Yamazaki

Phys Chem Chem Phys· August 2018

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