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Method for Determining the Third Density Virial Coefficient of Monatomic Gas from Speed-of-Sound Data

International journal of thermophysics, 2022-10, Vol.43 (10), Article 148

Tada, Kohei

2022

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A Transformation Formula for Determining the Second Density Virial Coefficient from the Second Acoustic Virial Coefficient

International journal of thermophysics, 2022-05, Vol.43 (5), Article 64

Tada, Kohei

2022

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Correction to: Method for Determining the Third Density Virial Coefficient of Monatomic Gas from Speed-of-Sound Data

International journal of thermophysics, 2022, Vol.43 (11), Article 170

Tada, Kohei

2022

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The Second and Third Virial Coefficients of 3He from 3.3 K to 13 K from Experimental Data

International journal of thermophysics, 2021, Vol.42 (10), Article 145

Tada, Kohei

2021

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Model calculations for the prediction of the diradical character of physisorbed molecules: p -benzyne/MgO and p -benzyne/SrO

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (43), p.29424-29436

2023

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Investigation of the Interaction Between Au and Brookite TiO2 Using Transmission Electron Microscopy and Density Functional Theory

Bulletin of the Chemical Society of Japan, 2023-04, Vol.96 (4), p.373-380

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

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (45), p.2855-2868

2022

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Boosting the electrocatalytic activity of Pd/C by Cu alloying: Insight on Pd/Cu composition and reaction pathway

Journal of colloid and interface science, 2021-04, Vol.587, p.446-456

2021

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Estimation of spin contamination errors in DFT/plane-wave calculations of solid materials using approximate spin projection scheme

Chemical physics letters, 2021-02, Vol.765, p.138291, Article 138291

2021

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Implications of coordination chemistry to cationic interactions in honeycomb layered nickel tellurates

Computational materials science, 2022-05, Vol.207, p.111322, Article 111322

2022

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Clinical Development of Immune Checkpoint Inhibitors

BioMed research international, 2015-01, Vol.2015 (2015), p.1-12

2015

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A comparative study of Na3LiTi5O12 and Li4Ti5O12: Geometric and electronic structures obtained by density functional theory calculations

Chemical physics letters, 2019-09, Vol.731, p.136598, Article 136598

2019

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CO Oxidation Activity of Au on Spinel Titanate Supports: Improvement of Catalytic Activity via Alkali Cation Substitution from Li4Ti5O12 to Na3LiTi5O12

Chemistry letters, 2022-02, Vol.51 (2), p.157-161

2022

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Structural stability of Na-inserted spinel-type sodium titanium oxide

Journal of alloys and compounds, 2021-02, Vol.853, p.157211, Article 157211

2021

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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

Molecules (Basel, Switzerland), 2019-01, Vol.24 (3), p.505

2019

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Difference in the electron energy loss spectra between the spinel-type Na3LiTi5O12 and Li4Ti5O12 clarified by density functional theory calculations

Computational materials science, 2021-02, Vol.188, p.110240, Article 110240

2021

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Estimation of spin contamination error in dissociative adsorption of Au2 onto MgO(0 0 1) surface: First application of approximate spin projection (AP) method to plane wave basis

Chemical physics letters, 2018-06, Vol.701, p.103-108

2018

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A comparative study of the photocatalytic and optical properties of spinel-type titanates: A report for spinel sodium titanate

Journal of solid state chemistry, 2021-12, Vol.304, p.122593, Article 122593

2021

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Hyperfine interaction constants of 14NO2 in 14 500–16 800 cm−1 energy region

The Journal of chemical physics, 2017-10, Vol.147 (16), p.164304-164304

2017

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Clarification of the interaction between Au atoms and the anatase TiO2 (112) surface using density functional theory

Surface science, 2018-04, Vol.670, p.23-32

2018

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Electron Density-based Estimation of Diradical Character: An Easy Scheme for DFT/Plane-wave Calculations

Chemistry letters, 2021-02, Vol.50 (2), p.392-396

2021

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Neural network potential calculations for melamine adsorption onto Pt (111) compared with density functional theory

Chemistry letters, 2024-10, Vol.53 (10)

Tada, Kohei

2024

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Comparison of Effective Exchange Integrals of H-H and H-He-H Chains vs. Single Molecules: A Theoretical Study

Chemistry letters, 2020-02, Vol.49 (2), p.137-140

2020

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Theoretical Investigation of the Heterojunction Effect on the Catalytic Activity and Selectivity of an Au@NiO Core–Shell Catalyst in Aerobic Oxidation

Journal of physical chemistry. C, 2020-08, Vol.124 (31), p.17039-17047

2020

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How does the Li-distribution in the 16d sites determine the stability of A3(Li,Ti5)O12 (A = Li and Na)?

RSC advances, 2020-09, Vol.10 (55), p.33509-33516

2020

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Method for Determining the Third Density Virial Coefficient of Monatomic Gas from Speed-of-Sound Data

A Transformation Formula for Determining the Second Density Virial Coefficient from the Second Acoustic Virial Coefficient

Correction to: Method for Determining the Third Density Virial Coefficient of Monatomic Gas from Speed-of-Sound Data

The Second and Third Virial Coefficients of 3He from 3.3 K to 13 K from Experimental Data

Model calculations for the prediction of the diradical character of physisorbed molecules: p -benzyne/MgO and p -benzyne/SrO

Investigation of the Interaction Between Au and Brookite TiO2 Using Transmission Electron Microscopy and Density Functional Theory

Properties of spinel-type Ti-Li-M composite oxides (M = Li, Na, Cu, and Ag) predicted by density functional theory

Boosting the electrocatalytic activity of Pd/C by Cu alloying: Insight on Pd/Cu composition and reaction pathway

Estimation of spin contamination errors in DFT/plane-wave calculations of solid materials using approximate spin projection scheme

Implications of coordination chemistry to cationic interactions in honeycomb layered nickel tellurates

Clinical Development of Immune Checkpoint Inhibitors

A comparative study of Na3LiTi5O12 and Li4Ti5O12: Geometric and electronic structures obtained by density functional theory calculations

CO Oxidation Activity of Au on Spinel Titanate Supports: Improvement of Catalytic Activity via Alkali Cation Substitution from Li4Ti5O12 to Na3LiTi5O12

Structural stability of Na-inserted spinel-type sodium titanium oxide

Extent of Spin Contamination Errors in DFT/Plane-wave Calculation of Surfaces: A Case of Au Atom Aggregation on a MgO Surface

Difference in the electron energy loss spectra between the spinel-type Na3LiTi5O12 and Li4Ti5O12 clarified by density functional theory calculations

Estimation of spin contamination error in dissociative adsorption of Au2 onto MgO(0 0 1) surface: First application of approximate spin projection (AP) method to plane wave basis

A comparative study of the photocatalytic and optical properties of spinel-type titanates: A report for spinel sodium titanate

Hyperfine interaction constants of 14NO2 in 14 500–16 800 cm−1 energy region

Clarification of the interaction between Au atoms and the anatase TiO2 (112) surface using density functional theory

Electron Density-based Estimation of Diradical Character: An Easy Scheme for DFT/Plane-wave Calculations

Neural network potential calculations for melamine adsorption onto Pt (111) compared with density functional theory

Comparison of Effective Exchange Integrals of H-H and H-He-H Chains vs. Single Molecules: A Theoretical Study

Theoretical Investigation of the Heterojunction Effect on the Catalytic Activity and Selectivity of an Au@NiO Core–Shell Catalyst in Aerobic Oxidation

How does the Li-distribution in the 16d sites determine the stability of A3(Li,Ti5)O12 (A = Li and Na)?

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