E-LIB Suche - Ergebnisse für: Hansen, Andreas

1

Confined Lewis Pairs: Investigation of the X−→Si20 Interact..:

Gasevic, Thomas ; Bamberg, Marcel ; Wicke, Julius...
Angewandte Chemie International Edition. 63 (2024) 6 - p. , 2024

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

2

Confined Lewis Pairs: Investigation of the X−→Si20 Interact..:

Gasevic, Thomas ; Bamberg, Marcel ; Wicke, Julius...
Angewandte Chemie. 136 (2024) 6 - p. , 2024

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

3

Flexible Phenanthracene Nanotubes for Explosive Detection:

Rickert, Simon C. ; Luo, Shao-Xiong Lennon ; Bahr, Joshua...
Journal of the American Chemical Society. 146 (2024) 5 - p. 2986-2996 , 2024

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

4

The p-block challenge: assessing quantum chemistry methods ..:

Gasevic, Thomas ; Bursch, Markus ; Ma, Qianli...
Physical Chemistry Chemical Physics. 26 (2024) 18 - p. 13884-13908 , 2024

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

5

Influence of Steric and Dispersion Interactions on the Ther..:

Bursch, Markus ; Grimme, Stefan ; Hansen, Andreas
Accounts of Chemical Research. , 2023

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

6

Essential Roles of Cp Ring Activation and Coordinated Solve..:

Goel, Bhumika ; Neugebauer, Hagen ; VanderWeide, Andrew I....
ACS Catalysis. 13 (2023) 20 - p. 13650-13662 , 2023

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

7

Conformational energies of biomolecules in solution: Extend..:

Plett, Christoph ; Grimme, Stefan ; Hansen, Andreas
Journal of Computational Chemistry. 45 (2023) 7 - p. 419-429 , 2023

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

8

ωB97X-3c: A composite range-separated hybrid DFT method wit..:

Müller, Marcel ; Hansen, Andreas ; Grimme, Stefan
The Journal of Chemical Physics. 158 (2023) 1 - p. , 2023

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

9

Toward Benchmark-Quality Ab Initio Predictions for 3d Trans..:

Neugebauer, Hagen ; Vuong, Hung T. ; Weber, John L....
Journal of Chemical Theory and Computation. , 2023

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

10

Allergic contact dermatitis to accelerators in rubber glove..:

Brans, Richard ; Werner, Silke ; Obermeyer, Lara...
Contact Dermatitis. 89 (2023) 1 - p. 65-68 , 2023

Link: https://doi.org/10.1111/..

11

Accurate Calculation of Isomerization and Conformational En..:

Werner, Hans-Joachim ; Hansen, Andreas
Journal of Chemical Theory and Computation. , 2023

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

12

Which outcomes should be measured in hand eczema trials? Re..:

Rönsch, Henriette ; Schiffers, Frederike ; Ofenloch, Robert...
Journal of the European Academy of Dermatology and Venereology. 37 (2023) 6 - p. 1199-1206 , 2023

Link: https://doi.org/10.1111/..

13

High‐throughput screening of spin states for transition met..:

Neugebauer, Hagen ; Bädorf, Benedikt ; Ehlert, Sebastian..
Journal of Computational Chemistry. 44 (2023) 27 - p. 2120-2129 , 2023

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

14

An atom-in-molecule adaptive polarized valence single-ζ ato..:

Müller, Marcel ; Hansen, Andreas ; Grimme, Stefan
The Journal of Chemical Physics. 159 (2023) 16 - p. , 2023

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

15

Polyradical character assessment using multireference calcu..:

Nieman, Reed ; Carvalho, Jhonatas R. ; Jayee, Bhumika...
Physical Chemistry Chemical Physics. 25 (2023) 40 - p. 27380-27393 , 2023

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