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Inorganic Chemistry

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Nanoscience

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Physical Chemistry

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Theoretical and Computational Chemistry

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Oscar A. Douglas-Gallardo

5 results in Authors: Oscar A. Douglas-Gallardo

Theoretical and Computational Chemistry

Electronic Structure Benchmark Calculations of Inorganic and Biochemical Carboxylation Reactions

Oscar A. Douglas-Gallardo, David A. Sáez, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez

828

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Plasmon-Induced Hot-Carrier Generation differences in Gold and Silver Nanoclusters

Oscar A. Douglas-Gallardo, Matias Berdakin, Thomas Frauenheim, Cristián G Sánchez

851

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Theoretical and Computational Chemistry

Electronic Structure Benchmark Calculations of CO2 Fixing Elementary Chemical Steps in RuBisCO Using the Projector-Based Embedding Approach

Oscar A. Douglas-Gallardo, Ian J. Shepherd, Simon Bennie, Kara Ranaghan, Adrian Mulholland, Esteban Vöhringer-Martinez

420

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Communication: Photoinduced Carbon Dioxide Binding with Surface-Functionalized Silicon Quantum Dots

Oscar A. Douglas-Gallardo, Cristián Gabriel Sánchez, Esteban Vöhringer-Martinez

445

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Theoretical and Computational Chemistry

A Systematic DFT Study of Two Elementary Steps Involving Hydrogen Peroxide and the Hydroxyl Radical in the Fenton Reaction

Danilo Carmona, David Contreras, Oscar A. Douglas-Gallardo, Stefan Vogt-Geisse, Pablo Jaque, Esteban Vöhringer-Martinez

586

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