E-LIB Suche - Ergebnisse für: Morell, Christophe

1

Zwitterionic bifunctional stable zinc complexes as single c..:

Alonso de la Peña, Miguel ; Merzoud, Lynda ; Bussé-Côté, Dominik...
Molecular Catalysis. 553 (2024) - p. 113746 , 2024

2

Expanding horizons in conceptual density functional theory:..:

Hoffmann, Guillaume ; Guégan, Frédéric ; Labet, Vanessa...
Journal of Computational Chemistry. 45 (2024) 20 - p. 1716-1726 , 2024

Link: https://doi.org/10.1002/..

3

Determining the Factors accounting for Reaction Selectivity..:

CADOR, Aël ; MORELL, Christophe ; Tognetti, Vincent..
ChemPhysChem. , 2024

Link: https://doi.org/10.1002/..

4

Revisiting nucleophilicity: an index for chemical reactivit..:

Hoffmann, Guillaume ; Chermette, Henry ; Morell, Christophe
Journal of Molecular Modeling. 30 (2024) 7 - p. , 2024

Link: https://doi.org/10.1007/..

5

Finishing (off) the Klopman–Salem model: the importance of ..:

Guégan, Frédéric ; Abid-Charef, Yanis ; Hoffmann, Guillaume..
Theoretical Chemistry Accounts. 142 (2023) 10 - p. , 2023

Link: https://doi.org/10.1007/..

6

Chemical shift tensors as probes of chalcogen bonds: solid-..:

Almario, Carina ; Nag, Tamali ; Bryce, David L..
FACETS. 8 (2023) - p. 1-14 , 2023

Link: https://doi.org/10.1139/..

7

Predicting the activity of methoxyphenol derivatives antiox..:

Khelifi, Roumaissa ; Latelli, Nadjia ; Charifi, Zoulikha..
Journal of Computational Chemistry. 45 (2023) 12 - p. 886-897 , 2023

Link: https://doi.org/10.1002/..

8

Degradation by hydrolysis of three triphenylmethane dyes: D..:

Taharchaouche, Djamel ; Latelli, Nadjia ; Merouani, Hafida...
Theoretical Chemistry Accounts. 142 (2023) 1 - p. , 2023

Link: https://doi.org/10.1007/..

9

Insight into the Varying Reactivity of Different Catalysts ..:

Sebaaly, Angelo Pio ; Dias, Hugo ; Christ, Lorraine...
International Journal of Molecular Sciences. 24 (2023) 3 - p. 2123 , 2023

Link: https://doi.org/10.3390/..

10

DFT study of the condensation products of 2-chloro-3-formyl..:

Benabila, Nabila ; Merouani, Hafida ; Latelli, Nadjia...
Theoretical Chemistry Accounts. 142 (2023) 11 - p. , 2023

Link: https://doi.org/10.1007/..

11

The effect of resonance-assisted hydrogen bond on the secon..:

Hannachi, Douniazed ; Khelfaoui, Noureddine ; Zaidi, Meriem...
New Journal of Chemistry. 47 (2023) 39 - p. 18359-18373 , 2023

Link: https://doi.org/10.1039/..

12

Understanding the mechanism and regio‐ and stereo selectivi..:

Sobhi, Chafia ; Merzoud, Lynda ; Bouasla, Souad...
Journal of Computational Chemistry. 44 (2023) 12 - p. 1208-1220 , 2023

Link: https://doi.org/10.1002/..

13

Molecular interactions from the density functional theory f..:

Miranda-Quintana, Ramón Alain ; Heidar-Zadeh, Farnaz ; Fias, Stijn...
Frontiers in Chemistry. 10 (2022) - p. , 2022

Link: https://doi.org/10.3389/..

14

Formation Mechanism of Inter-Crosslink in DNA by Nitrogen O..:

Hernandez-Haro, Noemi ; Solis-Calero, Christian ; Casasnovas, Rodrigo...
International Journal of Molecular Sciences. 23 (2022) 18 - p. 10621 , 2022

Link: https://doi.org/10.3390/..

15

Reactivity and a Charge-Transfer Model Analysis in Aminopol..:

Redjem, Nawel ; Lakehal, Salima ; Lakehal, Aicha...
Inorganic Chemistry. 61 (2022) 11 - p. 4673-4680 , 2022

Link: https://doi.org/10.1021/..