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Theoretical and Computational Chemistry

(3)

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Working Paper

(3)

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Over 3 years

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Zenghui Yang

3 results in Authors: Zenghui Yang

Theoretical and Computational Chemistry

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

Version 2 posted 28 May 2020

662

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Theoretical and Computational Chemistry

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

Version 1 posted 30 September 2020

348

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Theoretical and Computational Chemistry

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

Version 1 posted 29 May 2020

486

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