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Theoretical and Computational Chemistry

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topological analysis

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2 results in Keywords: topological analysis

Theoretical and Computational Chemistry

The Oriented and Flux-Weighted Current Density Stagnation Graph of LiH

Raphael J F Berger, Maria Dimitrova

Version 3 posted 24 May 2022

260

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Theoretical and Computational Chemistry

Combining Evolutionary Conservation and Quantum Topological Analyses to Determine QM Subsystems for Biomolecular QM/MM Simulations

Mark A. Hix, Emmett M. Leddin, G. Andres Cisneros

Version 2 posted 10 May 2021

810

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