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Edoardo Aprà

24PUBLICATIONS

81CO-AUTHORS

Reaction engineering (excl. nuclear reactions)Computational chemistryMain group metal chemistryChemical and thermal processes in energy and combustionSoftware testing, verification and validation

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Publications (24)

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|Nov 05, 2025

Recent Improvements to the NWChem COSMO Module.

Rafael de P Soares, Daniel Mejía-Rodriguez, Edoardo Aprà

|Oct 21, 2024

Electronic structure simulations in the cloud computing environment.

Eric J Bylaska, Ajay Panyala, Nicholas P Bauman

|Nov 08, 2023

<i>G</i><sub>0</sub><i>W</i><sub>0</sub> Ionization Potentials of First-Row Transition Metal Aqua Ions.

Daniel Mejia-Rodriguez, Alexander A Kunitsa, John L Fulton

|Jul 31, 2023

Lignin with controlled structural properties by N-heterocycle-based deep eutectic solvent extraction.

Kuan-Ting Lin, Chenxi Wang, Mond F Guo

|Jul 17, 2023

NWChem: Recent and Ongoing Developments.

Daniel Mejia-Rodriguez, Edoardo Aprà, Jochen Autschbach

|Jan 24, 2023

A critical comparison of CH⋯π <i>versus</i> π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods.

Kristina M Herman, Edoardo Aprà, Sotiris S Xantheas

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Frequent Collaborators

6 joint publications

Niranjan Govind

6 joint publications

Daniel Mejia-Rodriguez

6 joint publications

Sotiris S Xantheas

5 joint publications

Patrick Z El-Khoury

5 joint publications

Carsten Jenne

5 joint publications

Jonas Warneke

4 joint publications

Karol Kowalski

4 joint publications

Markus Rohdenburg

3 joint publications

Eric J Bylaska

3 joint publications

Vladimir A Azov

Frequent Collaborators

6 joint publications

Niranjan Govind

6 joint publications

Daniel Mejia-Rodriguez

6 joint publications

Sotiris S Xantheas

5 joint publications

Patrick Z El-Khoury

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