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Catlow, C. Richard A.
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1

Environment-Driven Variability in Absolute Band Edge Positi..:

Zhang, Xingfan ; Blackman, Christopher ; Palgrave, Robert G....
Journal of the American Chemical Society.  146 (2024)  24 - p. 16814-16829 , 2024
Link: https://doi.org/10.1021/..
 
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2

Roadmap on data-centric materials science:

Bauer, Stefan ; Benner, Peter ; Bereau, Tristan...
Modelling and Simulation in Materials Science and Engineering.  32 (2024)  6 - p. 063301 , 2024
Link: https://doi.org/10.1088/..
 
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3

Localized thermal levering events drive spontaneous kinetic..:

Decarolis, Donato ; Panchal, Monik ; Quesne, Matthew...
Nature Catalysis.  7 (2024)  7 - p. 829-837 , 2024
Link: https://doi.org/10.1038/..
 
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4

Multiscale Investigation of the Mechanism and Selectivity o..:

Sun, Shijia ; Higham, Michael D. ; Zhang, Xingfan.
ACS Catalysis.  14 (2024)  8 - p. 5503-5519 , 2024
Link: https://doi.org/10.1021/..
 
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5

Mechanistic Pathways for the Dehydrogenation of Alkanes on ..:

Islam, Mazharul M. ; Catlow, C. Richard A. ; Roldan, Alberto
ChemCatChem.  16 (2024)  11 - p. , 2024
Link: https://doi.org/10.1002/..
 
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6

Orbital selective hole- and hole-pair formation and Bose co..:

Edwards, Peter P. ; Pyper, Nicholas C. ; Jie, Xiangyu...
Journal of Solid State Chemistry.  317 (2023)  - p. 123529 , 2023
Link: https://doi.org/10.1016/..
 
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7

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

Lu, You ; Sen, Kakali ; Yong, Chin...
Physical Chemistry Chemical Physics.  25 (2023)  33 - p. 21816-21835 , 2023
Link: https://doi.org/10.1039/..
 
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8

The effect of dissolved chlorides on the photocatalytic deg..:

Delarmelina, Maicon ; Dlamini, Mbongiseni W. ; Pattisson, Samuel...
Physical Chemistry Chemical Physics.  25 (2023)  5 - p. 4161-4176 , 2023
Link: https://doi.org/10.1039/..
 
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9

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

Sharma, Pankaj ; Sharma, Monika ; Dearg, Malcolm...
Angewandte Chemie International Edition.  62 (2023)  20 - p. , 2023
Link: https://doi.org/10.1002/..
 
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10

Mechanism of ammonia synthesis on Fe3Mo3N:

Higham, Michael D. ; Zeinalipour-Yazdi, Constantinos D. ; Hargreaves, Justin S. J..
Faraday Discussions.  243 (2023)  - p. 77-96 , 2023
Link: https://doi.org/10.1039/..
 
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11

Computational study of native defects and defect migration ..:

Zhu, Lei ; Catlow, C. Richard A. ; Hou, Qing...
Journal of Materials Chemistry A.  11 (2023)  28 - p. 15482-15498 , 2023
Link: https://doi.org/10.1039/..
 
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12

Computational modelling in catalytic science:

Catlow, C. Richard A. ; Chutia, Arunabhiram ; Quesne, Matthew G.
Physical Chemistry Chemical Physics.  25 (2023)  31 - p. 20775-20776 , 2023
Link: https://doi.org/10.1039/..
 
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13

Bulk and Surface Contributions to Ionisation Potentials of ..:

Zhang, Xingfan ; Liu, Taifeng ; Zhu, Lei...
Angewandte Chemie.  135 (2023)  40 - p. , 2023
Link: https://doi.org/10.1002/..
 
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14

Homogeneous N2 activation: general discussion:

Ashley, Andrew ; Brinkert, Katharina ; Catlow, C. Richard A....
Faraday Discussions.  243 (2023)  - p. 492-501 , 2023
Link: https://doi.org/10.1039/..
 
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15

Investigation of the Pd(1−x)Znxalloy phase diagram using ab..:

Kabalan, Lara ; Kowalec, Igor ; Rigamonti, Santiago...
Journal of Physics: Condensed Matter.  35 (2023)  40 - p. 405402 , 2023
Link: https://doi.org/10.1088/..
 
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