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Theoretical and Computational Chemistry

(4)

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Working Paper

(4)

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Over 3 years

(4)

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benchmark data sets

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4 results in Keywords: benchmark data sets

Theoretical and Computational Chemistry

`Diet GMKTN55' Offers Accelerated Benchmarking Through a Representative Subset Approach

Version 2 posted 05 September 2018

744

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Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 2: Hydrogen Bonding in an Extended Chemical Space

Version 1 posted 06 July 2020

723

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Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets: Hydrogen Bonding

Version 1 posted 19 December 2019

611

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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

604

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