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Jessica Bristow
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Transferable force field for metal–organic frameworks from first-principles: BTW-FF
JK Bristow, D Tiana, A Walsh
Journal of Chemical Theory and Computation 10 (10), 4644-4652, 2014
1102014
Vacancy defect configurations in the metal–organic framework UiO-66: energetics and electronic structure
KL Svane, JK Bristow, JD Gale, A Walsh
Journal of Materials Chemistry A 6 (18), 8507-8513, 2018
582018
Free energy of ligand removal in the metal–organic framework uio-66
JK Bristow, KL Svane, D Tiana, JM Skelton, JD Gale, A Walsh
The Journal of Physical Chemistry C 120 (17), 9276-9281, 2016
542016
A general forcefield for accurate phonon properties of metal–organic frameworks
JK Bristow, JM Skelton, KL Svane, A Walsh, JD Gale
Physical Chemistry Chemical Physics 18 (42), 29316-29329, 2016
492016
Defect chemistry of Ti and Fe impurities and aggregates in Al 2 O 3
JK Bristow, D Tiana, SC Parker, A Walsh
Journal of Materials Chemistry A 2 (17), 6198-6208, 2014
402014
Compositional control of pore geometry in multivariate metal–organic frameworks: an experimental and computational study
LK Cadman, JK Bristow, NE Stubbs, D Tiana, MF Mahon, A Walsh, ...
Dalton Transactions 45 (10), 4316-4326, 2016
282016
Chemical bonding at the metal–organic framework/metal oxide interface: simulated epitaxial growth of MOF-5 on rutile TiO 2
JK Bristow, KT Butler, KL Svane, JD Gale, A Walsh
Journal of materials chemistry A 5 (13), 6226-6232, 2017
262017
Microscopic origin of the optical processes in blue sapphire
JK Bristow, SC Parker, CRA Catlow, SM Woodley, A Walsh
Chemical communications 49 (46), 5259-5261, 2013
232013
Ligand engineering in Cu (ii) paddle wheel metal–organic frameworks for enhanced semiconductivity
MJ Golomb, J Calbo, JK Bristow, A Walsh
Journal of materials chemistry A 8 (26), 13160-13165, 2020
102020
Anharmonic origin of giant thermal displacements in the metal–organic framework UiO-67
KL Svane, JK Bristow, A Walsh
The Journal of Physical Chemistry C 121 (40), 22010-22014, 2017
32017
Ligand engineering in Cu (II) paddle wheel metal-organic frameworks for enhanced electrical conductivity
M Golomb, J Calbo, JK Bristow, A Walsh
2020
Anharmonic Origin of Giant
J Bristow, A Walsh
2017
Chemical bonding in metal-organic frameworks: from fundamentals to design principles
JK Bristow
University of Bath, 2016
2016
Transferable force field for metal-organic frameworks from first
JK Bristow, D Tiana, A Walsh
under an ACS AuthorChoice License, which permits, 2014
2014
Supporting information for: Transferable forcefield for metal-organic frameworks from first-principles: BTW-FF
JK Bristow, D Tiana, A Walsh
2014
Defect chemistry of Ti and Fe impurities and aggregates in Al₂O₃
JK Bristow, D Tiana, SC Parker, A Walsh
2014
Supplementary Information for" Anharmonic Origin of Giant Thermal Displacements in the Metal-Organic Framework UiO-67
KL Svane, JK Bristow, A Walsh
Supporting information for: Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66
JK Bristow, K Svane, D Tiana, JM Skelton, JD Gale, A Walsh
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