Articles with public access mandates - Atsushi IshikawaLearn more
Not available anywhere: 3
On‐Surface Synthesis of Porphyrin‐Complex Multi‐Block Co‐Oligomers by Defluorinative Coupling
S Kawai, A Ishikawa, S Ishida, T Yamakado, Y Ma, K Sun, Y Tateyama, ...
Angewandte Chemie International Edition 61 (3), e202114697, 2022
Mandates: Swiss National Science Foundation, European Commission
Hybrid functional study of H-abstraction from methane by li-doped, pristine and stepped MgO (100) and MgO (110) surfaces
A Ishikawa, Y Tateyama
Catalysis Letters 151, 627-633, 2021
Mandates: US National Institutes of Health
What Is the Active Site for the Oxidative Coupling of Methane Catalyzed by MgO? A Metadynamics-Biased Ab Initio Molecular Dynamics Study
A Ishikawa, Y Tateyama
The Journal of Physical Chemistry C 124 (11), 6054-6062, 2020
Mandates: US National Institutes of Health
Available somewhere: 10
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents
A Ishikawa, K Sodeyama, Y Igarashi, T Nakayama, Y Tateyama, M Okada
Physical Chemistry Chemical Physics 21 (48), 26399-26405, 2019
Mandates: US National Institutes of Health
A first-principles microkinetics for homogeneous–heterogeneous reactions: application to oxidative coupling of methane catalyzed by magnesium oxide
A Ishikawa, Y Tateyama
ACS Catalysis 11 (5), 2691-2700, 2021
Mandates: US National Institutes of Health
Critical impacts of interfacial water on C–H activation in photocatalytic methane conversion
H Sato, A Ishikawa, H Saito, T Higashi, K Takeyasu, T Sugimoto
Communications Chemistry 6 (1), 8, 2023
Mandates: US National Institutes of Health, Japan Science and Technology Agency
Heterogeneous catalyst design by generative adversarial network and first-principles based microkinetics
A Ishikawa
Scientific Reports 12 (1), 11657, 2022
Mandates: US National Institutes of Health
Quantum chemical approach for condensed-phase thermochemistry (II): Applications to formation and combustion reactions of liquid organic molecules
A Ishikawa, H Nakai
Chemical Physics Letters 624, 6-11, 2015
Mandates: US Department of Energy, German Research Foundation
High-throughput computational screening of doped transition metal oxides as catalysts for nitrogen reduction
ÁB Höskuldsson, T Dang, Y Sakai, A Ishikawa, E Skúlason
Cell Reports Physical Science 4 (10), 2023
Mandates: European Commission
Bismuth phosphate nanoparticle catalyst for direct oxidation of methane into formaldehyde
A Matsuda, K Obara, A Ishikawa, MH Tsai, CH Wang, YC Lin, M Hara, ...
Catalysis Science & Technology 13 (18), 5180-5189, 2023
Mandates: Japan Science and Technology Agency
Facilitating methane conversion and hydrogen evolution on platinized gallium oxide photocatalyst through liquid-like water nanofilm formation
F Amano, A Ishikawa, H Sato, C Akamoto, SP Singh, S Yamazoe, ...
Catalysis Today 426, 114375, 2024
Mandates: Japan Science and Technology Agency
Data integration for multiple alkali metals in predicting coordination energies based on Bayesian inference
K Obinata, T Nakayama, A Ishikawa, K Sodeyama, K Nagata, Y Igarashi, ...
Science and Technology of Advanced Materials: Methods 2 (1), 355-364, 2022
Mandates: Japan Science and Technology Agency
Favorable Role of the Metal–Support Perimeter Region in Electrochemical NH3 Synthesis: A Density Functional Theory Study on Ru/BaCeO3
A Ishikawa, F Murase, Y Tateyama, J Otomo
ACS omega 7 (30), 26107-26115, 2022
Mandates: US National Institutes of Health, Japan Science and Technology Agency
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