E-LIB Suche - Ergebnisse für: Michaelides, Angelos

1

The Interplay of Solvation and Polarization Effects on Ion ..:

Fong, Kara D. ; Sumić, Barbara ; O'Neill, Niamh...
Nano Letters. , 2024

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

2

Ten-electron count rule for the binding of adsorbates on si..:

Schumann, Julia ; Stamatakis, Michail ; Michaelides, Angelos.
Nature Chemistry. 16 (2024) 5 - p. 749-754 , 2024

Link: https://doi.org/10.1038/..

3

Soft matter–water interface: general discussion:

Backus, Ellen H. G. ; Ben Ari, Gil ; Benaglia, Simone...
Faraday Discussions. 249 (2024) - p. 485-520 , 2024

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

4

The limit of macroscopic homogeneous ice nucleation at the ..:

Hayton, John A. ; Davies, Michael B. ; Whale, Thomas F...
Faraday Discussions. 249 (2024) - p. 210-228 , 2024

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

5

How Accurate Are Simulations and Experiments for the Lattic..:

Della Pia, Flaviano ; Zen, Andrea ; Alfè, Dario.
Physical Review Letters. 133 (2024) 4 - p. , 2024

Link: https://doi.org/10.1103/..

6

Going for Gold(-Standard): Attaining Coupled Cluster Accura..:

Shi, Benjamin X. ; Wales, David J. ; Michaelides, Angelos.
Journal of Chemical Theory and Computation. 20 (2024) 12 - p. 5306-5316 , 2024

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

7

First-principles spectroscopy of aqueous interfaces using m..:

Kapil, Venkat ; Kovács, Dávid Péter ; Csányi, Gábor.
Faraday Discussions. 249 (2024) - p. 50-68 , 2024

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

8

Dynamics and nano-rheology of interfacial water: general di..:

Advincula, Xavier R. ; Blow, Katarina E. ; Bonn, Mischa...
Faraday Discussions. 249 (2024) - p. 243-266 , 2024

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

9

To Pair or not to Pair? Machine-Learned Explicitly-Correlat..:

O'Neill, Niamh ; Shi, Benjamin X. ; Fong, Kara..
The Journal of Physical Chemistry Letters. 15 (2024) 23 - p. 6081-6091 , 2024

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

10

Ice interfaces: general discussion:

Advincula, Xavier R. ; Backus, Ellen H. G. ; Bartels-Rausch, Thorsten...
Faraday Discussions. 249 (2024) - p. 133-161 , 2024

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

11

Local probing of the nanoscale hydration landscape of kaoli..:

Cafolla, Clodomiro ; Bui, Tai ; Bao Le, Tran Thi...
Materials Today Physics. 46 (2024) - p. 101504 , 2024

Link: https://doi.org/10.1016/..

12

Many-Body Methods for Surface Chemistry Come of Age: Achiev..:

Shi, Benjamin X. ; Zen, Andrea ; Kapil, Venkat...
Journal of the American Chemical Society. 145 (2023) 46 - p. 25372-25381 , 2023

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

13

Mesoscale Simulations Reveal How Salt Influences Clay Parti..:

Le, Tran Thi Bao ; Finney, Aaron R. ; Zen, Andrea...
Journal of Chemical Theory and Computation. 20 (2023) 4 - p. 1612-1624 , 2023

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

14

Hydration at Highly Crowded Interfaces:

Penschke, Christopher ; Thomas, John ; Bertram, Cord...
Physical Review Letters. 130 (2023) 10 - p. , 2023

Link: https://doi.org/10.1103/..

15

Classical Quantum Friction at Water–Carbon Interfaces:

Bui, Anna T. ; Thiemann, Fabian L. ; Michaelides, Angelos.
Nano Letters. 23 (2023) 2 - p. 580-587 , 2023

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