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6 results in Keywords: ALMO-EDA

Physical Chemistry

Effective Removal of Water-Soluble Methylated Arsenic Contaminants with Phosphorene Oxide Nanoflakes: A DFT Study

Kerry Wrighton-Araneda, Daniela E. Ortega, Diego Cortes-Arriagada

Version 1 posted 11 June 2021

334

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Materials Science

Phosphorene–Fullerene Nanostructures: A First-Principles Study

Diego Cortes-Arriagada, Daniela E. Ortega

Version 2 posted 28 April 2021

490

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Materials Science

Removal of Water-Soluble Inorganic Arsenicals with Phosphorene Oxide Nanoadsorbents: A First-Principles Study

Diego Cortes-Arriagada, Kerry Wrighton-Araneda

Version 2 posted 22 April 2021

315

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Physical Chemistry

Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets

Sasha Gazzari, Kerry Wrighton-Araneda, Diego Cortes-Arriagada

Version 1 posted 23 July 2020

254

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Materials Chemistry

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

Diego Cortés-Arriagada

Version 1 posted 01 September 2021

259

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Theoretical and Computational Chemistry

Demystifying hydridic hydrogen bonds using energy decomposition analysis

David W. Roberts, Yuezhi Mao

Version 1 posted 17 June 2024

117

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