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dos Passos Gomes, Gabriel
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1

Applying Large Graph Neural Networks to Predict Transition ..:

Garrison, Aaron G. ; Heras-Domingo, Javier ; Kitchin, John R....
Journal of Chemical Information and Modeling.  63 (2023)  24 - p. 7642-7654 , 2023
Link: https://doi.org/10.1021/..
 
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2

On scientific understanding with artificial intelligence:

Krenn, Mario ; Pollice, Robert ; Guo, Si Yue...
Nature Reviews Physics.  4 (2022)  12 - p. 761-769 , 2022
Link: https://doi.org/10.1038/..
 
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3

A Comprehensive Discovery Platform for Organophosphorus Lig..:

Gensch, Tobias ; dos Passos Gomes, Gabriel ; Friederich, Pascal...
Journal of the American Chemical Society.  144 (2022)  3 - p. 1205-1217 , 2022
Link: https://doi.org/10.1021/..
 
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4

Data-science driven autonomous process optimization:

Christensen, Melodie ; Yunker, Lars P. E. ; Adedeji, Folarin...
Communications Chemistry.  4 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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5

Data-Driven Strategies for Accelerated Materials Design:

Pollice, Robert ; dos Passos Gomes, Gabriel ; Aldeghi, Matteo...
Accounts of Chemical Research.  54 (2021)  4 - p. 849-860 , 2021
Link: https://doi.org/10.1021/..
 
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6

Mapping C−H⋅⋅⋅M Interactions in Confined Spaces: (α‐ICyDMe)..:

dos Passos Gomes, Gabriel ; Xu, Guangcan ; Zhu, Xiaolei...
Chemistry – A European Journal.  27 (2021)  31 - p. 8127-8142 , 2021
Link: https://doi.org/10.1002/..
 
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7

Illuminating the dark conformational space of macrocycles u..:

Diaz, Diego B. ; Appavoo, Solomon D. ; Bogdanchikova, Anastasia F....
Nature Chemistry.  13 (2021)  3 - p. 218-225 , 2021
Link: https://doi.org/10.1038/..
 
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8

The Cyclopropane Ring as a Reporter of Radical Leaving-Grou..:

Mills, L. Reginald ; Monteith, John J. ; dos Passos Gomes, Gabriel..
Journal of the American Chemical Society.  142 (2020)  30 - p. 13246-13254 , 2020
Link: https://doi.org/10.1021/..
 
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9

Twofold π-Extension of Polyarenes via Double and Triple Rad..:

Gonzalez-Rodriguez, Edgar ; Abdo, Miguel A. ; dos Passos Gomes, Gabriel...
Journal of the American Chemical Society.  142 (2020)  18 - p. 8352-8366 , 2020
Link: https://doi.org/10.1021/..
 
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10

Machine learning dihydrogen activation in the chemical spac..:

Friederich, Pascal ; dos Passos Gomes, Gabriel ; De Bin, Riccardo..
Chemical Science.  11 (2020)  18 - p. 4584-4601 , 2020
Link: https://doi.org/10.1039/..
 
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11

Testing the limits of radical-anionic CH-amination: a 10-mi..:

Elliott, Quintin ; dos Passos Gomes, Gabriel ; Evoniuk, Christopher J..
Chemical Science.  11 (2020)  25 - p. 6539-6555 , 2020
Link: https://doi.org/10.1039/..
 
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12

Electronic Donation or Steric Contraction: A Spectroscopic ..:

Lee, Robert ; Bashrum, Bryan ; Cagle, Ethan C....
The Journal of Organic Chemistry.  84 (2019)  16 - p. 9897-9906 , 2019
Link: https://doi.org/10.1021/..
 
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13

Stereoelectronic Influence of a "Spectator" Propargylic Sub..:

Hughes, Audrey M. ; dos Passos Gomes, Gabriel ; Alabugin, Igor V.
The Journal of Organic Chemistry.  84 (2019)  4 - p. 1853-1862 , 2019
Link: https://doi.org/10.1021/..
 
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14

CO2 or SO2: Should It Stay, or Should It Go?:

dos Passos Gomes, Gabriel ; Wimmer, Alexander ; Smith, Joel M...
The Journal of Organic Chemistry.  84 (2019)  10 - p. 6232-6243 , 2019
Link: https://doi.org/10.1021/..
 
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15

Hyperconjugation:

Alabugin, Igor V. ; dos Passos Gomes, Gabriel ; Abdo, Miguel A.
WIREs Computational Molecular Science.  9 (2018)  2 - p. , 2018
Link: https://doi.org/10.1002/..
 
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