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Corminboeuf, Clémence
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1

Engineering Frustrated Lewis Pair Active Sites in Porous Or..:

Das, Shubhajit ; Laplaza, Ruben ; Blaskovits, J. Terence.
Journal of the American Chemical Society.  146 (2024)  23 - p. 15806-15814 , 2024
Link: https://doi.org/10.1021/..
 
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2

Benchmarking machine-readable vectors of chemical reactions..:

van Gerwen, Puck ; Briling, Ksenia R. ; Calvino Alonso, Yannick..
Digital Discovery.  3 (2024)  5 - p. 932-943 , 2024
Link: https://doi.org/10.1039/..
 
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3

A genetic optimization strategy with generality in asymmetr..:

Gallarati, Simone ; van Gerwen, Puck ; Laplaza, Ruben...
Chemical Science.  15 (2024)  10 - p. 3640-3660 , 2024
Link: https://doi.org/10.1039/..
 
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4

Microkinetic Molecular Volcano Plots for Enhanced Catalyst ..:

Worakul, Thanapat ; Laplaza, Rubén ; Das, Shubhajit..
ACS Catalysis.  , 2024
Link: https://doi.org/10.1021/..
 
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5

From Organic Fragments to Photoswitchable Catalysts: The OF..:

Célerse, Frédéric ; Wodrich, Matthew D. ; Vela, Sergi...
Journal of Chemical Information and Modeling.  64 (2024)  4 - p. 1201-1212 , 2024
Link: https://doi.org/10.1021/..
 
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6

Enhanced inverted singlet–triplet gaps in azaphenalenes and..:

Garner, Marc H. ; Blaskovits, J. Terence ; Corminboeuf, Clémence
Chemical Communications.  60 (2024)  15 - p. 2070-2073 , 2024
Link: https://doi.org/10.1039/..
 
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7

SPAHM(a,b): Encoding the Density Information from Guess Ham..:

Briling, Ksenia R. ; Calvino Alonso, Yannick ; Fabrizio, Alberto.
Journal of Chemical Theory and Computation.  20 (2024)  3 - p. 1108-1117 , 2024
Link: https://doi.org/10.1021/..
 
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8

Reaction-Agnostic Featurization of Bidentate Ligands for Ba..:

Schoepfer, Alexandre A. ; Laplaza, Ruben ; Wodrich, Matthew D...
ACS Catalysis.  14 (2024)  12 - p. 9302-9312 , 2024
Link: https://doi.org/10.1021/..
 
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9

Theory-guided development of homogeneous catalysts for the ..:

Cramer, Hanna H. ; Das, Shubhajit ; Wodrich, Matthew D....
Chemical Science.  14 (2023)  11 - p. 2799-2807 , 2023
Link: https://doi.org/10.1039/..
 
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10

Symmetry‐Induced Singlet‐Triplet Inversions in Non‐Alternan..:

Terence Blaskovits, J. ; Garner, Marc H. ; Corminboeuf, Clémence
Angewandte Chemie.  135 (2023)  15 - p. , 2023
Link: https://doi.org/10.1002/..
 
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11

The fundamental relation between electrohelicity and molecu..:

Garner, Marc H. ; Corminboeuf, Clemence
Physical Chemistry Chemical Physics.  25 (2023)  22 - p. 15200-15208 , 2023
Link: https://doi.org/10.1039/..
 
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12

Double-bond delocalization in non-alternant hydrocarbons in..:

Garner, Marc H. ; Blaskovits, J. Terence ; Corminboeuf, Clémence
Chemical Science.  14 (2023)  38 - p. 10458-10466 , 2023
Link: https://doi.org/10.1039/..
 
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13

Data‐Driven Discovery of Organic Electronic Materials Enabl..:

Blaskovits, J. Terence ; Laplaza, Ruben ; Vela, Sergi.
Advanced Materials.  36 (2023)  2 - p. , 2023
Link: https://doi.org/10.1002/..
 
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14

Symmetry‐Induced Singlet‐Triplet Inversions in Non‐Alternan..:

Terence Blaskovits, J. ; Garner, Marc H. ; Corminboeuf, Clémence
Angewandte Chemie International Edition.  62 (2023)  15 - p. , 2023
Link: https://doi.org/10.1002/..
 
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15

Toward in silico Catalyst Optimization:

Wodrich, Matthew D. ; Laplaza, Ruben ; Cramer, Nicolai..
CHIMIA.  77 (2023)  3 - p. 139 , 2023
Link: https://doi.org/10.2533/..
 
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