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Materials Chemistry

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Physical Chemistry

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Carole Perry

3 results in Authors: Carole Perry

Theoretical and Computational Chemistry

Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints

Monika Michaelis, Lorenzo Cupellini, Carl Mensch, Carole C. Perry, Massimo Delle Piane, Lucio Colombi Ciacchi

Version 2 posted 09 August 2022

223

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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

436

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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

326

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