Suchergebnisse - "Chemical reactivity"

PubPharm (684)

1

Does the radical GPRI strongly depend on the population scheme? A comparative study to predict radical attack on unsaturated molecules with the radical general-purpose reactivity indicator

enthalten in: Journal of computational chemistry | 2024

von Barrera, Y. | Anderson, J.

2

Bonding of ceramics to silver-coated titanium-A combined theoretical and experimental study

enthalten in: Journal of biomedical materials research. Part B, Applied biomaterials | 2024

von Vuorinen, V. | Kouhia, R. | Könönen, M. | +1

3

Insight into chemically reactive metabolites of aliphatic amine pollutants : A de novo prediction strategy and case study of sertraline

enthalten in: Environment international | 2024

von Jin, L. | Cheng, S. | Ding, W. | +3

4

Redox properties of $ PbO_{2} $, $ IrO_{2} $ and $ SnO_{2} $ (110) surfaces with an adsorbed OH molecule: a chemical reactivity study in the grand canonical ensemble

enthalten in: Theoretical chemistry accounts | 2024

von Islas-Vargas, C. | Guevara-García, A. | Galván, M.

5

Spatio-temporal variations in dissolved trace elements in peat bog porewaters impacted by dust inputs from open-pit mining activities in the Athabasca Bituminous Sands (ABS) region

enthalten in: Environmental pollution (Barking, Essex : 1987) | 2024

von Butt, S. | Barraza, F. | Devito, K. | +5

6

Synthesis of eugenol derivative by the ring opening of epoxide eugenol and its analysis through chemical reactivity : a DFT approach

enthalten in: Natural product research | 2024

von Abdou, A. | Maaghloud, F. | Elmakssoudi, A. | +3

7

Chemical reactivity of graphene doped with 3d transition metals : nothing compares to a single vacancy

enthalten in: Journal of molecular modeling | 2024

von Denis, P.

8

Chemical reactivity of graphene doped with 3d transition metals: nothing compares to a single vacancy

enthalten in: Journal of molecular modeling | 2024

von Denis, P.

9

Synergistic topological and supramolecular control of Diels-Alder reactivity based on a tunable self-complexing host-guest molecular switch

enthalten in: Chemistry (Weinheim an der Bergstrasse, Germany) | 2024

von Ribeiro, C. | Cariello, M. | Malfait, A. | +8

10

Marine Toxins as Pharmaceutical Treasure Troves : A Focus on Saxitoxin Derivatives from a Computational Point of View

enthalten in: Molecules (Basel, Switzerland) | 2024

von Flores-Holguín, N. | Salas-Leiva, J. | Núñez-Vázquez, E. | +2

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