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The CHAL336 Benchmark Set: How Well Do Quantum-Chemical ...

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We conclude this work by performing the most detailed DFT benchmark study for CB interactions to date. We assess 109 variations of dispersion-corrected and - ...

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[PDF] The CHAL336 Benchmark Set: How Well Do Quantum-Chemical ...

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We present the CHAL336 benchmark set—the most comprehensive database for the assessment of chalcogen-bonding (CB) interactions. After careful selection of ...

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CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods ...

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May 11, 2021 · We present the CHAL336 benchmark set-the most comprehensive database for the assessment of chalcogen-bonding (CB) interactions.

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CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods ...

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We conclude this work by performing the most detailed DFT benchmark study for CB interactions to date. We assess 109 variations of dispersion-corrected and ...

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