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Crespo-Otero, Rachel
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1

Molecular engineering binuclear copper catalysts for select..:

Zhao, Qi ; Lei, Kai ; Xia, Bao Yu..
Journal of Energy Chemistry.  93 (2024)  - p. 166-173 , 2024
Link: https://doi.org/10.1016/..
 
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2

Fast and accurate nonadiabatic molecular dynamics enabled t..:

Atalar, Kemal ; Rath, Yannic ; Crespo-Otero, Rachel.
Faraday Discussions.  , 2024
Link: https://doi.org/10.1039/..
 
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3

Synthesis of graphene mesosponge using CaO nanoparticles fo..:

Sunahiro, Shogo ; Pirabul, Kritin ; Pan, Zhengze...
Catalysis Today.  437 (2024)  - p. 114763 , 2024
Link: https://doi.org/10.1016/..
 
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4

Computational screening of metalloporphyrin catalysts for t..:

Uddin, Amira Tasnima ; Zhao, Qi ; Toroz, Dimitrios..
Molecular Catalysis.  565 (2024)  - p. 114386 , 2024
Link: https://doi.org/10.1016/..
 
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5

Solar-Driven Cellulose Photorefining into Arabinose over Ox..:

Wang, Jiu ; Zhao, Qi ; Kumar, Pawan...
ACS Catalysis.  14 (2024)  5 - p. 3376-3386 , 2024
Link: https://doi.org/10.1021/..
 
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6

Experimentally Delineating the Catalytic Effect of a Single..:

Mardyukov, Artur ; Hernández, Federico J. ; Song, Lijuan..
Journal of the American Chemical Society.  146 (2024)  28 - p. 19070-19076 , 2024
Link: https://doi.org/10.1021/..
 
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7

Molecular graph transformer: stepping beyond ALIGNN into lo..:

Anselmi, Marco ; Slabaugh, Greg ; Crespo-Otero, Rachel.
Digital Discovery.  3 (2024)  5 - p. 1048-1057 , 2024
Link: https://doi.org/10.1039/..
 
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8

A thermodynamically favorable route to the synthesis of nan..:

Pirabul, Kritin ; Zhao, Qi ; Sunahiro, Shogo...
Green Chemistry.  26 (2024)  10 - p. 6051-6062 , 2024
Link: https://doi.org/10.1039/..
 
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9

The role of copper in enhancing the performance of heteronu..:

Zhao, Qi ; Crespo-Otero, Rachel ; Di Tommaso, Devis
Journal of Energy Chemistry.  85 (2023)  - p. 490-500 , 2023
Link: https://doi.org/10.1016/..
 
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10

Single-Atom Iridium on Hematite Photoanodes for Solar Water..:

Guo, Qian ; Zhao, Qi ; Crespo-Otero, Rachel...
Journal of the American Chemical Society.  145 (2023)  3 - p. 1686-1695 , 2023
Link: https://doi.org/10.1021/..
 
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11

Multiconfigurational Calculations and Photodynamics Describ..:

Hernández, Federico J. ; Cox, Jordan M. ; Li, Jingbai..
The Journal of Organic Chemistry.  88 (2023)  9 - p. 5311-5320 , 2023
Link: https://doi.org/10.1021/..
 
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12

Photochemical Fingerprinting Is a Sensitive Probe for the D..:

Andrews, Rachael C. ; May, Benedict ; Hernández, Federico J....
Analytical Chemistry.  , 2023
Link: https://doi.org/10.1021/..
 
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13

Simulating excited states in metal organic frameworks: from..:

Ingham, Michael ; Aziz, Alex ; Di Tommaso, Devis.
Materials Advances.  4 (2023)  22 - p. 5388-5419 , 2023
Link: https://doi.org/10.1039/..
 
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14

Performance of point charge embedding schemes for excited s..:

Sidat, Amir ; Ingham, Michael ; Rivera, Miguel..
The Journal of Chemical Physics.  159 (2023)  24 - p. , 2023
Link: https://doi.org/10.1063/..
 
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15

Modeling Excited States of Molecular Organic Aggregates for..:

Hernández, Federico J. ; Crespo-Otero, Rachel
Annual Review of Physical Chemistry.  74 (2023)  1 - p. 547-571 , 2023
Link: https://doi.org/10.1146/..
 
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