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ACS Omega|July 19, 2021
Density Functional Theory and Machine Learning Description and Prediction of Oxygen Atom Chemisorption on Platinum Surfaces and NanoparticlesDavid S Rivera Rocabado, Yusuke Nanba, Michihisa Koyama
ACS Applied Materials & Interfaces|August 8, 2024
Universal Predictive Power: Introducing the Electronic Structure Decomposition Approach for CO Adsorption and Activation on Al<sub>2</sub>O<sub>3</sub>-Supported Ru NanoparticlesDavid S Rivera Rocabado, Mika Aizawa, Takayoshi Ishimoto
The Journal of Physical Chemistry. A|September 21, 2023
Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice I<sub>h</sub>Yuya Shimohata, Yusuke Kanematsu, David S Rivera Rocabado, et al.
Scientific Reports|July 7, 2021
Inversely polarized thermo-electrochemical power generation via the reaction of an organic redox couple on a TiO<sub>2</sub>/Ti mesh electrodeHiroto Eguchi, Takashi Kobayashi, Teppei Yamada, et al.
ACS Nano|December 3, 2021
Adsorption States of N<sub>2</sub>/H<sub>2</sub> Activated on Ru Nanoparticles Uncovered by Modulation-Excitation Infrared Spectroscopy and Density Functional Theory CalculationsDavid S Rivera Rocabado, Tomohiro G Noguchi, Shio Hayashi, et al.
The Journal of Physical Chemistry. A|January 4, 2022
Hydrogen/Deuterium Transfer from Anisole to Methoxy Radicals: A Theoretical Study of a Deuterium-Labeled Drug ModelYuka Kimura, Yusuke Kanematsu, Hiroki Sakagami, et al.
Angewandte Chemie (International Ed. in English)|May 8, 2025
In Situ Observation of Post-CO Intermediates to Decode C─C Coupling Pathways in CO<sub>2</sub> ElectroreductionMingxu Sun, David S Rivera Rocabado, Jiamin Cheng, et al.
Physical Chemistry Chemical Physics : PCCP|November 12, 2024
Investigating Ni nanoparticles on CeO<sub>2</sub> for methane dissociation: a comparative study of theoretical calculations and experimental insightsTakaya Fujisaki, Yuta Tsuji, Phuc Hoan Tu, et al.
ACS Applied Materials & Interfaces|April 2, 2025
Enhanced Hydrogen Supply to Atomically Dispersed Copper Sites through Close Cooperation with Oxygen Vacancies in Black TiO<sub>2</sub> to Promote CH<sub>4</sub> Production in CO<sub>2</sub> ElectrolysisAkihiko Anzai, Masato Fukushima, David S Rivera Rocabado, et al.
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