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Inorganic Chemistry

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geomeTRIC

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3 results in Keywords: geomeTRIC

Physical Chemistry

Pressure-Induced Symmetry Changes in Body-Centered Cubic Zeolites

Antony Nearchou, Mero-Lee Cornelius, Zoe Jones, Ines E. Collings, Stephen A. Wells, Paul R. Raithby, Asel Sartbaeva

Version 1 posted 13 December 2018

582

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Theoretical and Computational Chemistry

Modelling local and general quantum mechanical properties with attention-based pooling

David Buterez, Jon Paul Janet, Steven J. Kiddle, Dino Oglic, Pietro Liò

Version 1 posted 08 June 2023

259

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Theoretical and Computational Chemistry

Geometry Optimization: A Comparison of Different Open-Source Geometry Optimizers

Akhil Shajan, Madushanka Manathunga, Andreas Goetz, Kenneth Merz

Version 4 posted 22 August 2023

1,361

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