de Leeuw NH - Search Results

1

Understanding the Interactions between Triolein and Cosolvent Binary Mixtures Using Molecular Dynamics Simulations.

Nyepetsi M, Mbaiwa F, Oyetunji OA, de Leeuw NH. Nyepetsi M, et al. Among authors: de leeuw nh. ACS Omega. 2022 Mar 15;7(12):10212-10224. doi: 10.1021/acsomega.1c06762. eCollection 2022 Mar 29. ACS Omega. 2022. PMID: 35382278 Free PMC article.

2

Atomistic Molecular Dynamics Simulations of Propofol and Fentanyl in Phosphatidylcholine Lipid Bilayers.

Faulkner C, Santos-Carballal D, Plant DF, de Leeuw NH. Faulkner C, et al. Among authors: de leeuw nh. ACS Omega. 2020 Jun 12;5(24):14340-14353. doi: 10.1021/acsomega.0c00813. eCollection 2020 Jun 23. ACS Omega. 2020. PMID: 32596571 Free PMC article.

3

Density Functional Theory Study of Ethylene Carbonate Adsorption on the (0001) Surface of Aluminum Oxide α-Al₂O₃.

Ramogayana B, Santos-Carballal D, Maenetja KP, de Leeuw NH, Ngoepe PE. Ramogayana B, et al. Among authors: de leeuw nh. ACS Omega. 2021 Oct 29;6(44):29577-29587. doi: 10.1021/acsomega.1c03771. eCollection 2021 Nov 9. ACS Omega. 2021. PMID: 34778629 Free PMC article.

4

The Transfer Hydrogenation of Cinnamaldehyde Using Homogeneous Cobalt(II) and Nickel(II) (E)-1-(Pyridin-2-yl)-N-(3-(triethoxysilyl)propyl)methanimine and the Complexes Anchored on Fe₃O₄ Support as Pre-Catalysts: An Experimental and In Silico Approach.

Sejie FP, Oyetunji OA, Darkwa J, Beas IN, Makhubela BCE, Dzade NY, de Leeuw NH. Sejie FP, et al. Among authors: de leeuw nh. Molecules. 2023 Jan 9;28(2):659. doi: 10.3390/molecules28020659. Molecules. 2023. PMID: 36677718 Free PMC article.

5

Predicting the Membrane Permeability of Fentanyl and Its Analogues by Molecular Dynamics Simulations.

Faulkner C, de Leeuw NH. Faulkner C, et al. Among authors: de leeuw nh. J Phys Chem B. 2021 Aug 5;125(30):8443-8449. doi: 10.1021/acs.jpcb.1c05438. Epub 2021 Jul 21. J Phys Chem B. 2021. PMID: 34286980 Free PMC article.

6

In silico studies of the interactions between propofol and fentanyl using Gaussian accelerated molecular dynamics.

Faulkner C, de Leeuw NH. Faulkner C, et al. Among authors: de leeuw nh. J Biomol Struct Dyn. 2022 Jan;40(1):312-324. doi: 10.1080/07391102.2020.1814415. Epub 2020 Sep 10. J Biomol Struct Dyn. 2022. PMID: 32909527 Free article.

7

Structure and dynamics of water at the mackinawite (001) surface.

Terranova U, de Leeuw NH. Terranova U, et al. Among authors: de leeuw nh. J Chem Phys. 2016 Mar 7;144(9):094706. doi: 10.1063/1.4942755. J Chem Phys. 2016. PMID: 26957175 Free article.

8

Unraveling the Role of Lithium in Enhancing the Hydrogen Evolution Activity of MoS₂: Intercalation versus Adsorption.

Wu L, Dzade NY, Yu M, Mezari B, van Hoof AJF, Friedrich H, de Leeuw NH, Hensen EJM, Hofmann JP. Wu L, et al. Among authors: de leeuw nh. ACS Energy Lett. 2019 Jul 12;4(7):1733-1740. doi: 10.1021/acsenergylett.9b00945. Epub 2019 Jun 27. ACS Energy Lett. 2019. PMID: 31328171 Free PMC article.

9

Recalibrating the calcium trap in amino acid carboxyl groups via classical molecular dynamics simulations.

Koskamp JA, Ruiz Hernandez SE, de Leeuw NH, Wolthers M. Koskamp JA, et al. Among authors: de leeuw nh. Phys Chem Chem Phys. 2023 Jan 4;25(2):1220-1235. doi: 10.1039/d2cp02879d. Phys Chem Chem Phys. 2023. PMID: 36524712 Free PMC article.

10

Single CuO/Cu₂O/Cu Microwire Covered by a Nanowire Network as a Gas Sensor for the Detection of Battery Hazards.

Lupan O, Ababii N, Mishra AK, Gronenberg O, Vahl A, Schürmann U, Duppel V, Krüger H, Chow L, Kienle L, Faupel F, Adelung R, de Leeuw NH, Hansen S. Lupan O, et al. Among authors: de leeuw nh. ACS Appl Mater Interfaces. 2020 Sep 16;12(37):42248-42263. doi: 10.1021/acsami.0c09879. Epub 2020 Sep 2. ACS Appl Mater Interfaces. 2020. PMID: 32813500

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

177 results

Search Page