E-LIB Suche - Ergebnisse für: Köhn, Andreas

1

Air-Stable Dinuclear Complexes of Four-Coordinate ZnII and ..:

Suhr, Simon ; Hunger, David ; Walter, Robert R. M....
Inorganic Chemistry. 63 (2024) 13 - p. 6042-6050 , 2024

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

2

Cyclohepta[def]fluorene as a bistable molecule: first princ..:

Toews, Robert ; Köhn, Andreas
Physical Chemistry Chemical Physics. , 2024

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

3

chARpack: The Chemistry Augmented Reality Package:

Rau, Tobias ; Sedlmair, Michael ; Köhn, Andreas
Journal of Chemical Information and Modeling. 64 (2024) 12 - p. 4700-4708 , 2024

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

4

Toward an efficient implementation of internally contracted..:

Black, Joshua A. ; Waigum, Alexander ; Adam, Robert G...
The Journal of Chemical Physics. 158 (2023) 13 - p. , 2023

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

5

Performance Tests of the Second-Order Approximate Internall..:

Zielinski, Patrik ; Black, Joshua A. ; Köhn, Andreas
Journal of Chemical Theory and Computation. 19 (2023) 23 - p. 8671-8688 , 2023

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

6

High-accuracy Rb2+ interaction potentials based on coupled-..:

Schnabel, Jan ; Cheng, Lan ; Köhn, Andreas
Physical Review A. 106 (2022) 3 - p. , 2022

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

7

Adsorption Geometries and Electronic Properties of a Dipola..:

Ma, Shuangying ; Liu, Wenlan ; Köhn, Andreas
The Journal of Physical Chemistry C. 126 (2022) 12 - p. 5793-5804 , 2022

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

8

Capabilities and limits of the unitary coupled-cluster appr..:

Köhn, Andreas ; Olsen, Jeppe
The Journal of Chemical Physics. 157 (2022) 12 - p. , 2022

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

9

Chasing Polycyclic Natural Products: 5/6/5‐ or 5/6/6‐Carbot..:

Stöckl, Yannick ; Fellmeth, Thomas ; Bauer, Florian...
European Journal of Organic Chemistry. 2022 (2022) 26 - p. , 2022

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

10

MolecuSense: Using Force-Feedback Gloves for Creating and I..:

, In: Proceedings of the 15th International Symposium on Visual Information Communication and Interaction,

Gebhardt, Patrick ; Yu, Xingyao ; Köhn, Andreas. - p. 1-5 , 2022

Link: https://dl.acm.org/doi/1..

11

Limitations of perturbative coupled-cluster approximations ..:

Schnabel, Jan ; Cheng, Lan ; Köhn, Andreas
The Journal of Chemical Physics. 155 (2021) 12 - p. , 2021

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

12

Thermally Averaged Magnetic Anisotropy Tensors via Machine ..:

Zaverkin, Viktor ; Netz, Julia ; Zills, Fabian..
Journal of Chemical Theory and Computation. 18 (2021) 1 - p. 1-12 , 2021

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

13

Towards photoassociation processes of ultracold rubidium tr..:

Schnabel, Jan ; Kampschulte, Tobias ; Rupp, Simon..
Physical Review A. 103 (2021) 2 - p. , 2021

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

14

On the Accuracy of Mean-Field Spin–Orbit Operators for 3d T..:

Netz, Julia ; Mitrushchenkov, Alexander O. ; Köhn, Andreas
Journal of Chemical Theory and Computation. 17 (2021) 9 - p. 5530-5537 , 2021

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

15

The Molpro quantum chemistry package:

Werner, Hans-Joachim ; Knowles, Peter J. ; Manby, Frederick R....
The Journal of Chemical Physics. 152 (2020) 14 - p. , 2020

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