E-LIB Suche - Ergebnisse für: Luber, Sandra

1

Water–air interface revisited by means of path-integral ab ..:

Creazzo, Fabrizio ; Luber, Sandra
Physical Chemistry Chemical Physics. 26 (2024) 31 - p. 21290-21302 , 2024

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

2

Stability and degradation of (oxy)nitride photocatalysts fo..:

Werner, Valérie ; Lora, Franky Bedoya ; Chai, Ziwei...
RSC Sustainability. 2 (2024) 6 - p. 1738-1752 , 2024

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

3

The Role of Aqueous Solvation on the Intersystem Crossing o..:

Vandaele, Eva ; Mališ, Momir ; Luber, Sandra
Journal of Chemical Theory and Computation. 20 (2024) 8 - p. 3258-3272 , 2024

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

4

Propagated (fragment) Pipek–Mezey Wannier functions in real..:

Schreder, Lukas ; Luber, Sandra
The Journal of Chemical Physics. 160 (2024) 21 - p. , 2024

Link: https://doi.org/10.1063/..

5

Chiral Spectroscopy of Bulk Systems with Propagated Localiz..:

Schreder, Lukas ; Luber, Sandra
Journal of Chemical Theory and Computation. , 2024

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

6

A Local Diabatisation Method for Two-State Adiabatic Conica..:

Vandaele, Eva ; Mališ, Momir ; Luber, Sandra
Journal of Chemical Theory and Computation. , 2024

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

7

Water Structure in the First Layers on TiO2: A Key Factor f..:

Verduci, Rosaria ; Creazzo, Fabrizio ; Tavella, Francesco...
Journal of the American Chemical Society. 146 (2024) 26 - p. 18061-18073 , 2024

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

8

The position operator problem in periodic calculations with..:

Ditler, Edward ; Mattiat, Johann ; Luber, Sandra
Physical Chemistry Chemical Physics. 25 (2023) 21 - p. 14672-14685 , 2023

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

9

Solution phase treatments of Sb2Se3 heterojunction photocat..:

Adams, Pardis ; Creazzo, Fabrizio ; Moehl, Thomas...
Journal of Materials Chemistry A. 11 (2023) 15 - p. 8277-8284 , 2023

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

10

Symposium of Theoretical Chemistry in Zurich: Conference Re..:

Richardson, Jeremy O. ; Luber, Sandra
CHIMIA. 77 (2023) 12 - p. 887-888 , 2023

Link: https://doi.org/10.2533/..

11

BODIPY-Based Photothermal Agents with Excellent Phototoxic ..:

Schneider, Lukas ; Kalt, Martina ; Koch, Samuel...
Journal of the American Chemical Society. 145 (2023) 8 - p. 4534-4544 , 2023

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

12

Calix[4]crowns with perfluoroalkylsulfonylcarboxamide funct..:

Reissig, Falco ; Bauer, David ; Al-Ameed, Karrar...
Inorganic Chemistry Frontiers. 10 (2023) 2 - p. 370-382 , 2023

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

13

Magnetic Interactions in a [Co(II)3Er(III)(OR)4] Model Cuba..:

Han, Ruocheng ; Luber, Sandra ; Li Manni, Giovanni
Journal of Chemical Theory and Computation. 19 (2023) 10 - p. 2811-2826 , 2023

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

14

Automatic purpose-driven basis set truncation for time-depe..:

Han, Ruocheng ; Mattiat, Johann ; Luber, Sandra
Nature Communications. 14 (2023) 1 - p. , 2023

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

15

Enabling Direct Photoelectrochemical H₂ Production using Al..:

Plainpan, Nukorn ; Ketkaew, Rangsiman ; Luber, Sandra.
CHIMIA. 77 (2023) 3 - p. 110 , 2023

Link: https://doi.org/10.2533/..