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Theoretical and Computational Chemistry

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Kristian Kriz

3 results in Authors: Kristian Kriz

Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts

Kristian Kříž, Martin Nováček, Jan Řezáč

Version 1 posted 21 December 2020

528

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Physical Chemistry

An Imbalance in the Force: The Need for Standardised Benchmarks for Molecular Simulation

Kristian Kriz, Lisa Schmidt, Alfred Andersson, Marie-Madeleine Walz, David van der Spoel

Version 1 posted 27 September 2022

458

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Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 4: σ-Hole Interactions

Kristian Kříž, Jan Řezáč

Version 1 posted 22 February 2022

412

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