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Theoretical and Computational Chemistry

(3)

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Working Paper

(3)

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Over 3 years

(3)

Keywords

Adaptive partitioning

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3 results in Keywords: Adaptive partitioning

Theoretical and Computational Chemistry

On-the-Fly Determination of Active Region Centers in Adaptive-Partitioning QM/MM

Version 1 posted 29 May 2020

461

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Theoretical and Computational Chemistry

Extending Scaled-Interaction Adaptive-Partitioning QM/MM to Covalently Bonded Systems

Version 2 posted 28 May 2020

622

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Theoretical and Computational Chemistry

Speed-Dependent Adaptive Partitioning QM/MM for Displacement Damage Simulations

Version 1 posted 30 September 2020

321

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