Ohkubo T - Search Results

1

Molecular Dynamics Studies of the Ho(III) Aqua-tris(dibenzoylmethane) Complex: Role of Water Dynamics.

Ohkubo T, Komiyama N, Masu H, Kishikawa K, Kohri M. Ohkubo T, et al. Inorg Chem. 2023 Jul 31;62(30):11897-11909. doi: 10.1021/acs.inorgchem.3c01277. Epub 2023 Jul 20. Inorg Chem. 2023. PMID: 37470095

2

Ab Initio Molecular Dynamics Simulations and GIPAW NMR Calculations of a Lithium Borate Glass Melt.

Ohkubo T, Tsuchida E, Takahashi T, Iwadate Y. Ohkubo T, et al. J Phys Chem B. 2016 Apr 14;120(14):3582-90. doi: 10.1021/acs.jpcb.6b00381. Epub 2016 Apr 4. J Phys Chem B. 2016. PMID: 27010637

3

Magnetic Supramolecular Spherical Arrays: Direct Formation of Micellar Cubic Mesophase by Lanthanide Metallomesogens with 7-Coordination Geometry.

Komiyama N, Ohkubo T, Maeda Y, Saeki Y, Ichikuni N, Masu H, Kanoh H, Ohara K, Takahashi R, Wadati H, Takagi H, Miwa Y, Kutsumizu S, Kishikawa K, Kohri M. Komiyama N, et al. Among authors: ohkubo t. Adv Sci (Weinh). 2024 May;11(20):e2309226. doi: 10.1002/advs.202309226. Epub 2024 Mar 13. Adv Sci (Weinh). 2024. PMID: 38477513 Free PMC article.

4

Molecular dynamics simulations of nafion and sulfonated poly ether sulfone membranes II. Dynamic properties of water and hydronium.

Ohkubo T, Kidena K, Takimoto N, Ohira A. Ohkubo T, et al. J Mol Model. 2012 Feb;18(2):533-40. doi: 10.1007/s00894-011-1091-7. Epub 2011 May 4. J Mol Model. 2012. PMID: 21541741

5

First-principles molecular dynamics simulation and conductivity measurements of a molten xLi2O-(1- x)B2O3 system.

Ohkubo T, Tsuchida E, Gobet M, Sarou-Kanian V, Bessada C, Iwadate Y. Ohkubo T, et al. J Phys Chem B. 2013 May 9;117(18):5668-74. doi: 10.1021/jp312486m. Epub 2013 Apr 30. J Phys Chem B. 2013. PMID: 23590459

6

An adaptive finite-element method for large-scale ab initio molecular dynamics simulations.

Tsuchida E, Choe YK, Ohkubo T. Tsuchida E, et al. Among authors: ohkubo t. Phys Chem Chem Phys. 2015 Dec 21;17(47):31444-52. doi: 10.1039/c5cp00320b. Phys Chem Chem Phys. 2015. PMID: 25891523

7

Molecular Dynamics Simulation of Water Confinement in Disordered Aluminosilicate Subnanopores.

Ohkubo T, Gin S, Collin M, Iwadate Y. Ohkubo T, et al. Sci Rep. 2018 Feb 28;8(1):3761. doi: 10.1038/s41598-018-22015-3. Sci Rep. 2018. PMID: 29491348 Free PMC article.

8

Conduction Mechanism in 70Li₂S-30P₂S₅ Glass by Ab Initio Molecular Dynamics Simulations: Comparison with Li₇P₃S₁₁ Crystal.

Ohkubo T, Ohara K, Tsuchida E. Ohkubo T, et al. ACS Appl Mater Interfaces. 2020 Jun 10;12(23):25736-25747. doi: 10.1021/acsami.0c03002. Epub 2020 Jun 1. ACS Appl Mater Interfaces. 2020. PMID: 32421303

9

A new universal force-field for the Li₂S-P₂S₅ system.

Ariga S, Ohkubo T, Urata S, Imamura Y, Taniguchi T. Ariga S, et al. Among authors: ohkubo t. Phys Chem Chem Phys. 2022 Jan 26;24(4):2567-2581. doi: 10.1039/d1cp05393k. Phys Chem Chem Phys. 2022. PMID: 35024698

10

New Approach To Understanding the Experimental ¹³³Cs NMR Chemical Shift of Clay Minerals via Machine Learning and DFT-GIPAW Calculations.

Ohkubo T, Takei A, Tachi Y, Fukatsu Y, Deguchi K, Ohki S, Shimizu T. Ohkubo T, et al. J Phys Chem A. 2023 Feb 2;127(4):973-986. doi: 10.1021/acs.jpca.2c08880. Epub 2023 Jan 19. J Phys Chem A. 2023. PMID: 36657157

Inverse analysis is applied to montmorillonite, and the resultant Cs positions are found to be consistent with previous results (Ohkubo, T.; et al. J. Phys. Chem. A 2018, 122, 9326-9337). The Cs positions on saponite clay are also clarified from experimentally obser …

Inverse analysis is applied to montmorillonite, and the resultant Cs positions are found to be consistent with previous results (Ohkubo …

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

1,576 results

Search Page