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Materials Modeling

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3 results in Keywords: Materials Modeling

Inorganic Chemistry

Modeling the Ternary Chalcogenide Na2MoSe4 from First-Principles

Etienne Palos, Armando Reyes-Serrato, Gabriel Alonso-Nuñez, J. Guerrero Sánchez

Version 3 posted 10 July 2020

653

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A High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers

Liam Wilbraham, Enrico Berardo, Lukas Turcani, Kim Jelfs, Martijn Zwijnenburg

Version 2 posted 18 June 2018

779

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Unravelling the Ordered Phase of the Quintessential Hybrid Perovskite MAPbI3 – Thermophysics to the Rescue

Pelayo Marin-Villa, Ana Arauzo, Kacper Drużbicki, Felix Fernandez-Alonso

Version 1 posted 12 July 2022

155

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