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Catlow, CRA
192  results:
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1

The Need for Realistic Electrostatic Models to Predict the ..:

Willockt, Dj ; Leslie, M. ; Price, Sl.
Molecular Crystals and Liquid Crystals.  235 (1993)  1 - p. 217-224 , 1993
Link: https://doi.org/10.1080/..
 
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2

Exploring the length scales, timescales and chemistry of ch..:

Wilding, Martin C ; Sella, Andrea ; Howard, Christopher A..
https://discovery.ucl.ac.uk/id/eprint/10177379/1/wilding-et-al-2023-exploring-the-length-scales-timescales-and-chemistry-of-challenging-materials-%28part-2%29.pdf.  , 2023
Link: https://discovery.ucl.ac..
 
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3

Interfacial Chemistry in the Electrocatalytic Hydrogenation..:

Gianolio, D ; Higham, MD ; Quesne, MG...
https://discovery.ucl.ac.uk/id/eprint/10169650/1/acscatal.3c01288.pdf.  , 2023
Link: https://discovery.ucl.ac..
 
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4

Cd/Pt Precursor Solution for Solar H2 Production and in‐sit..:

Sharma P ; Sharma M ; Dearg M...
urn:ISSN:1433-7851.  , 2023
Link: http://purl.org/net/epub..
 
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5

Computational infrared and Raman spectra by hybrid QM/MM te..:

Guan J ; Lu Y ; Sen K...
urn:ISSN:1471-2962.  , 2023
Link: http://purl.org/net/epub..
 
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6

Methanol diffusion and dynamics in zeolite H-ZSM-5 probed b..:

Matam SK ; Silverwood IP ; Boudjema L..
urn:ISSN:1471-2962.  , 2023
Link: http://purl.org/net/epub..
 
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7

Multiscale QM/MM modelling of catalytic systems with ChemSh..:

Lu Y ; Sen K ; Yong C...
urn:ISSN:1463-9076.  , 2023
Link: http://purl.org/net/epub..
 
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8

Methanol diffusion and dynamics in zeolite H-ZSM-5 probed b..:

Matam, SK ; Silverwood, IP ; Boudjema, L..
https://discovery.ucl.ac.uk/id/eprint/10177678/1/matam-et-al-2023-methanol-diffusion-and-dynamics-in-zeolite-h-zsm-5-probed-by-quasi-elastic-neutron-scattering-and.pdf.  , 2023
Link: https://discovery.ucl.ac..
 
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9

Overcoming the compensation of acceptors in GaN:Mg by defec..:

Xie Z ; Buckeridge J ; Catlow CRA...
urn:ISSN:2166-532X.  , 2023
Link: http://purl.org/net/epub..
 
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10

Supercomputing modelling of advanced materials: preface:

Catlow, CRA ; De Leeuw, NH ; Michaelides, A.
https://eprints.whiterose.ac.uk/199859/1/Supercomputing%20modelling%20of%C2%A0advanced%20materials%20preface.pdf.  , 2023
Link: https://eprints.whiteros..
 
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11

Bulk and Surface Contributions to Ionisation Potentials of ..:

Zhang X ; Liu T ; Zhu L...
urn:ISSN:1433-7851.  , 2023
Link: http://purl.org/net/epub..
 
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12

Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH ..:

Qi, G ; Davies, TE ; Nasrallah, A...
https://discovery.ucl.ac.uk/id/eprint/10167323/1/Au%20ZSM%205%20catalyses%20the%20selective%20oxidation.pdf.  , 2022
Link: https://discovery.ucl.ac..
 
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13

A Workflow Demonstrator for Processing Catalysis Research D..:

de la Hidalga AN ; Decarolis D ; Xu S...
Science and Technology Facilities Council (2007- ).  , 2022
Link: http://purl.org/net/epub..
 
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14

The Catalytic Reduction of Carbon Dioxide on the (001), (01..:

Silveri, F ; Quesne, MG ; Viñes, F...
https://eprints.whiterose.ac.uk/183796/8/acs.jpcc.1c10180.pdf.  , 2022
Link: https://eprints.whiteros..
 
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15

A Workflow Demonstrator for Processing Catalysis Research D..:

de la Hidalga, AN ; Decarolis, D ; Xu, S...
https://discovery.ucl.ac.uk/id/eprint/10167354/1/dint_a_00143.pdf.  , 2022
Link: https://discovery.ucl.ac..
 
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