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Physical Chemistry

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Theoretical and Computational Chemistry

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SQM

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3 results in Keywords: SQM

Theoretical and Computational Chemistry

Advanced Charge Extended Hückel (CEH) Model and a Consistent Adaptive Minimal Basis Set for the Elements Z=1-103

Marcel Müller, Thomas Froitzheim, Andreas Hansen, Stefan Grimme

Version 1 posted 28 October 2024

336

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Theoretical and Computational Chemistry

Chemical Space Exploration with Artificial ”Mindless” Molecules

Thomas Gasevic, Marcel Müller, Jonathan Schöps, Stephanie Lanius, Jan Hermann, Stefan Grimme, Andreas Hansen

Version 1 posted 13 June 2025

105

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Theoretical and Computational Chemistry

The Bond Capacity Electronegativity Equilibration Charge Model (EEQBC) for the Elements Z=1–103

Thomas Froitzheim, Marcel Müller, Andreas Hansen, Stefan Grimme

Version 1 posted 07 March 2025

468

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