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Medrano Sandonas, Leonardo
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1

Inverse mapping of quantum properties to structures for che..:

Fallani, Alessio ; Medrano Sandonas, Leonardo ; Tkatchenko, Alexandre
Nature Communications.  15 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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2

Dataset for quantum-mechanical exploration of conformers an..:

Medrano Sandonas, Leonardo ; Van Rompaey, Dries ; Fallani, Alessio...
Scientific Data.  11 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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3

Functionalization-Induced Local Magnetization in Black Phos..:

Rodríguez Méndez, Álvaro ; Dianat, Arezoo ; Medrano Sandonas, Leonardo..
The Journal of Physical Chemistry C.  127 (2023)  27 - p. 13157-13166 , 2023
Link: https://doi.org/10.1021/..
 
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4

Dithienylethene‐Based Single Molecular Photothermal Linear ..:

Rashid, Umar ; Chatir, Elarbi ; Medrano Sandonas, Leonardo...
Angewandte Chemie International Edition.  62 (2023)  16 - p. , 2023
Link: https://doi.org/10.1002/..
 
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5

Equivariant Graph Neural Networks for Toxicity Prediction:

Cremer, Julian ; Medrano Sandonas, Leonardo ; Tkatchenko, Alexandre..
Chemical Research in Toxicology.  , 2023
Link: https://doi.org/10.1021/..
 
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6

Dithienylethene‐Based Single Molecular Photothermal Linear ..:

Rashid, Umar ; Chatir, Elarbi ; Medrano Sandonas, Leonardo...
Angewandte Chemie.  135 (2023)  16 - p. , 2023
Link: https://doi.org/10.1002/..
 
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7

Molecules in Environments: Toward Systematic Quantum Embedd..:

Ditte, Matej ; Barborini, Matteo ; Medrano Sandonas, Leonardo.
Physical Review Letters.  131 (2023)  22 - p. , 2023
Link: https://doi.org/10.1103/..
 
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8

"Freedom of design" in chemical compound space: towards rat..:

Medrano Sandonas, Leonardo ; Hoja, Johannes ; Ernst, Brian G....
Chemical Science.  14 (2023)  39 - p. 10702-10717 , 2023
Link: https://doi.org/10.1039/..
 
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9

Electronic and thermal signatures of phosphorene grain boun..:

Rodríguez Méndez, Álvaro ; Medrano Sandonas, Leonardo ; Dianat, Arezoo..
Physical Review Materials.  6 (2022)  11 - p. , 2022
Link: https://doi.org/10.1103/..
 
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10

An Atomistic Study of the Thermoelectric Signatures of CNT ..:

Rodríguez Méndez, Álvaro ; Medrano Sandonas, Leonardo ; Dianat, Arezoo..
The Journal of Physical Chemistry C.  125 (2021)  25 - p. 13721-13731 , 2021
Link: https://doi.org/10.1021/..
 
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11

QM7-X, a comprehensive dataset of quantum-mechanical proper..:

Hoja, Johannes ; Medrano Sandonas, Leonardo ; Ernst, Brian G....
Scientific Data.  8 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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12

Nanoscale Phononic Analog of the Ranque-Hilsch Vortex Tube:

Medrano Sandonas, Leonardo ; Rodríguez Méndez, Álvaro ; Gutierrez, Rafael..
Physical Review Applied.  15 (2021)  3 - p. , 2021
Link: https://doi.org/10.1103/..
 
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13

Accurate Many-Body Repulsive Potentials for Density-Functio..:

Stöhr, Martin ; Medrano Sandonas, Leonardo ; Tkatchenko, Alexandre
The Journal of Physical Chemistry Letters.  11 (2020)  16 - p. 6835-6843 , 2020
Link: https://doi.org/10.1021/..
 
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14

Exploring the write-in process in molecular quantum cellula..:

Santana-Bonilla, Alejandro ; Medrano Sandonas, Leonardo ; Gutierrez, Rafael.
Journal of Physics: Condensed Matter.  31 (2019)  40 - p. 405502 , 2019
Link: https://doi.org/10.1088/..
 
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15

Electron Transport through Self-Assembled Monolayers of Tri..:

Mervinetsky, Evgeniy ; Alshanski, Israel ; Lenfant, Stephane...
The Journal of Physical Chemistry C.  123 (2019)  14 - p. 9600-9608 , 2019
Link: https://doi.org/10.1021/..
 
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