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Materials Chemistry

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Theoretical and Computational Chemistry

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Maryam Nurhuda

2 results in Authors: Maryam Nurhuda

Materials Chemistry

Performance of GFN1-xTB for periodic optimization of Metal Organic Frameworks

Maryam Nurhuda, Carole Perry, Matthew Addicoat

Version 1 posted 19 January 2022

446

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Materials Chemistry

Functional Group Pair Distance based Descriptor for Isomerization in Porous Molecular Framework Materials

Maryam Nurhuda, Yusuf Hafidh, Carole C. Perry, Matthew A. Addicoat

Version 1 posted 20 July 2022

337

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