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Balázs Lőrincz

4 results in Authors: Balázs Lőrincz

Physical Chemistry

Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions

Mirela Puleva, Leonardo Medrano Sandonas, Balázs Lőrincz, Jorge Charry, David M. Rogers, Péter R. Nagy, Alexandre Tkatchenko

Version 1 posted 17 January 2025

571

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1

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Theoretical and Computational Chemistry

Accurate Density Functional Theory for Non-Covalent Interactions in Charged Systems

Heng Zhao, Balázs Lőrincz, Tobias Henkes, Dénes Berta, Péter Nagy, Alexandre Tkatchenko, Stefan Vuckovic

Version 1 posted 19 May 2025

349

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Theoretical and Computational Chemistry

Advancing non-atom-centered basis methods for more accurate interaction energies: benchmarks and large-scale applications

Balázs Lőrincz, Péter Nagy

Version 1 posted 23 October 2024

277

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Theoretical and Computational Chemistry

An overview of developments in the MRCC program system

Dávid Mester, Peter R. Nagy, József Csóka, László Gyevi-Nagy, P. Bernát Szabó, Réka A. Horváth, Klára Petrov, Bence Hégely, Bence Ladóczki, Gyula Samu, Balázs D. Lőrincz, Mihály Kállay

Version 1 posted 30 January 2025

181

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