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Mineva, Tzonka
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1

DFT Atomic‐Scale Insight into Pt/Cu Single Atom Alloy Clust..:

Shahrokhi, Masoud ; Mineva, Tzonka ; Benabbas, Abdennour...
ChemCatChem.  , 2024
Link: https://doi.org/10.1002/..
 
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2

Exploring Spin Distribution and Electronic Properties in Fe..:

Oguz, Ismail Can ; Jaouen, Frederic ; Mineva, Tzonka
Molecules.  29 (2024)  2 - p. 479 , 2024
Link: https://doi.org/10.3390/..
 
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3

A molecular mechanics implementation of the cyclic cluster ..:

Samaniego-Rojas, Juan Diego ; Gaumard, Robin ; Alejandre, José...
Zeitschrift für Naturforschung B.  79 (2024)  4 - p. 201-213 , 2024
Link: https://doi.org/10.1515/..
 
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4

Benzene Methylation by Methyl Mercaptan over Acidic Chabazi..:

Gaumard, Robin ; Guesmi, Hazar ; Calaminici, Patrizia...
The Journal of Physical Chemistry C.  128 (2024)  17 - p. 7115-7126 , 2024
Link: https://doi.org/10.1021/..
 
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5

Temperature driven transformations of glycine molecules emb..:

Yusef-Buey, Maysa ; Mineva, Tzonka ; Talbi, Dahbia.
Physical Chemistry Chemical Physics.  26 (2024)  3 - p. 2414-2425 , 2024
Link: https://doi.org/10.1039/..
 
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6

Finding the Compromise between Brønsted Acidity and Mesopor..:

Desmurs, Lucie ; Cammarano, Claudia ; Ramona, Gaetan...
ChemCatChem.  15 (2023)  11 - p. , 2023
Link: https://doi.org/10.1002/..
 
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7

Author Correction: P-block single-metal-site tin/nitrogen-d..:

Luo, Fang ; Roy, Aaron ; Silvioli, Luca...
Nature Materials.  22 (2022)  1 - p. 146-146 , 2022
Link: https://doi.org/10.1038/..
 
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8

Coupling density functional based tight binding with class ..:

Yusef Buey, Maysa ; Mineva, Tzonka ; Rapacioli, Mathias
Theoretical Chemistry Accounts.  141 (2022)  3 - p. , 2022
Link: https://doi.org/10.1007/..
 
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9

Realistic Modelling of Dynamics at Nanostructured Interface..:

Rossi, Kevin ; Mineva, Tzonka ; Filhol, Jean-Sebastien..
Catalysts.  12 (2022)  1 - p. 52 , 2022
Link: https://doi.org/10.3390/..
 
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10

Impact of nuclear quantum effects on the $$^{13}$$C nuclear..:

Louisnard, Fernand ; Mineva, Tzonka ; Cuny, Jérôme
Theoretical Chemistry Accounts.  141 (2022)  7 - p. , 2022
Link: https://doi.org/10.1007/..
 
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11

Thermal fluctuation and conformational effects on NMR param..:

Aguilera-Segura, Sonia Milena ; Dragún, Dominik ; Gaumard, Robin...
Physical Chemistry Chemical Physics.  24 (2022)  15 - p. 8820-8831 , 2022
Link: https://doi.org/10.1039/..
 
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12

Regression Machine Learning Models Used to Predict DFT-Comp..:

Gaumard, Robin ; Dragún, Dominik ; Pedroza-Montero, Jesús N....
Computation.  10 (2022)  5 - p. 74 , 2022
Link: https://doi.org/10.3390/..
 
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13

Ubiquitous Presence of Intermolecular CH…O Hydrogen Bonds i..:

Al‐Nahari, Shadi ; Ata, Karima ; Mineva, Tzonka.
ChemistrySelect.  6 (2021)  37 - p. 9728-9734 , 2021
Link: https://doi.org/10.1002/..
 
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14

Host–Guest Silicalite-1 Zeolites: Correlated Disorder and P..:

Fabbiani, Marco ; Al-Nahari, Shadi ; Piveteau, Laura...
Chemistry of Materials.  34 (2021)  1 - p. 366-387 , 2021
Link: https://doi.org/10.1021/..
 
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15

Molecular Insight into the Cosolvent Effect on Lignin–Cellu..:

Aguilera-Segura, Sonia Milena ; Di Renzo, Francesco ; Mineva, Tzonka
Langmuir.  36 (2020)  47 - p. 14403-14416 , 2020
Link: https://doi.org/10.1021/..
 
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