Rivera Rocabado DS - Search Results

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Investigating Ni nanoparticles on CeO₂ for methane dissociation: a comparative study of theoretical calculations and experimental insights.

Fujisaki T, Tsuji Y, Tu PH, Doan TCD, Rivera Rocabado DS, Staykov AT, Yashiro K, Shiratori Y. Fujisaki T, et al. Among authors: rivera rocabado ds. Phys Chem Chem Phys. 2024 Nov 12. doi: 10.1039/d4cp01324g. Online ahead of print. Phys Chem Chem Phys. 2024. PMID: 39530151

Universal Predictive Power: Introducing the Electronic Structure Decomposition Approach for CO Adsorption and Activation on Al₂O₃-Supported Ru Nanoparticles.

Rivera Rocabado DS, Aizawa M, Ishimoto T. Rivera Rocabado DS, et al. ACS Appl Mater Interfaces. 2024 Aug 21;16(33):44305-44318. doi: 10.1021/acsami.4c09308. Epub 2024 Aug 8. ACS Appl Mater Interfaces. 2024. PMID: 39116270

Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice I_h.

Shimohata Y, Kanematsu Y, Rivera Rocabado DS, Ishimoto T. Shimohata Y, et al. Among authors: rivera rocabado ds. J Phys Chem A. 2023 Oct 5;127(39):8025-8031. doi: 10.1021/acs.jpca.3c01318. Epub 2023 Sep 21. J Phys Chem A. 2023. PMID: 37735111

Hydrogen/Deuterium Transfer from Anisole to Methoxy Radicals: A Theoretical Study of a Deuterium-Labeled Drug Model.

Kimura Y, Kanematsu Y, Sakagami H, Rivera Rocabado DS, Shimazaki T, Tachikawa M, Ishimoto T. Kimura Y, et al. Among authors: rivera rocabado ds. J Phys Chem A. 2022 Jan 13;126(1):155-163. doi: 10.1021/acs.jpca.1c08514. Epub 2022 Jan 4. J Phys Chem A. 2022. PMID: 34981930

Adsorption States of N₂/H₂ Activated on Ru Nanoparticles Uncovered by Modulation-Excitation Infrared Spectroscopy and Density Functional Theory Calculations.

Rivera Rocabado DS, Noguchi TG, Hayashi S, Maeda N, Yamauchi M, Ishimoto T. Rivera Rocabado DS, et al. ACS Nano. 2021 Dec 28;15(12):20079-20086. doi: 10.1021/acsnano.1c07825. Epub 2021 Dec 3. ACS Nano. 2021. PMID: 34860010

Density Functional Theory and Machine Learning Description and Prediction of Oxygen Atom Chemisorption on Platinum Surfaces and Nanoparticles.

Rivera Rocabado DS, Nanba Y, Koyama M. Rivera Rocabado DS, et al. ACS Omega. 2021 Jul 1;6(27):17424-17432. doi: 10.1021/acsomega.1c01726. eCollection 2021 Jul 13. ACS Omega. 2021. PMID: 34278128 Free PMC article.

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