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Rodrigo Alejandro Vargas-Hernández

2 results in Authors: Rodrigo Alejandro Vargas-Hernández

Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks

Sergio Pablo-García, Santiago Morandi, Rodrigo Alejandro Vargas-Hernández, Kjell Jorner, Núria López, Alán Aspuru-Guzik

Version 1 posted 06 October 2022

643

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Theoretical and Computational Chemistry

Spectro: A multi-modal approach for molecule elucidation using IR and NMR data

Edwin Chacko, Rudra Sondhi, Arnav Praveen, Kylie L. Luska, Rodrigo Alejandro Vargas Hernandez

Version 1 posted 06 November 2024

114

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