Publications by authors named "E Apra"

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Recent Improvements to the NWChem COSMO Module.
Rafael de P Soares, Daniel Mejía-Rodriguez, Edoardo Aprà

J Chem Theory Comput· November 2025

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Electronic structure simulations in the cloud computing environment.
Eric J Bylaska, Ajay Panyala, Nicholas P Bauman, Bo Peng, Himadri Pathak

J Chem Phys· October 2024

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Ionization Potentials of First-Row Transition Metal Aqua Ions.
Daniel Mejia-Rodriguez, Alexander A Kunitsa, John L Fulton, Edoardo Aprà, Niranjan Govind

J Phys Chem A· November 2023

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NWChem: Recent and Ongoing Developments.
Daniel Mejia-Rodriguez, Edoardo Aprà, Jochen Autschbach, Nicholas P Bauman, Eric J Bylaska

J Chem Theory Comput· October 2023

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Lignin with controlled structural properties by N-heterocycle-based deep eutectic solvent extraction.
Kuan-Ting Lin, Chenxi Wang, Mond F Guo, Edoardo Aprà, Ruoshui Ma

Proc Natl Acad Sci U S A· August 2023

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