E-LIB Suche - Ergebnisse für: Autschbach, Jochen

1

Electric field gradients at rubidium sites in rubidium uran..:

Park, Sejun ; Surbella III, Robert G. ; Sinkov, Sergey I....
Chemical Physics. 576 (2024) - p. 112094 , 2024

2

Computational exploration of the copper(I)‐catalyzed conver..:

Askerova, Ulviyya ; Abdullayev, Yusif ; Shikhaliyev, Namiq...
Journal of Computational Chemistry. 45 (2024) 24 - p. 2098-2103 , 2024

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

3

Dynamic and relativistic effects on Pt–Pt indirect spin–spi..:

Batista, Patrick R. ; Ducati, Lucas C. ; Autschbach, Jochen
The Journal of Chemical Physics. 160 (2024) 11 - p. , 2024

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

4

Tetraphenylpentalenide organolanthanide complexes:

Katzer, Nicholas J. ; Kaur, Mandeep ; Sen, Asmita...
Chemical Communications. 60 (2024) 72 - p. 9749-9752 , 2024

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

5

Facile Oxidation of Ce(III) to Ce(IV) Using Cu(I) Salts:

Gremillion, Alexander J. ; Ross, Jason ; Yu, Xiaojuan...
Inorganic Chemistry. 63 (2024) 21 - p. 9602-9609 , 2024

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

6

Structure and bonding in rhodium coordination compounds: a ..:

Holmes, Sean T. ; Schönzart, Jasmin ; Philips, Adam B....
Chemical Science. 15 (2024) 6 - p. 2181-2196 , 2024

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

7

Inquiring 199Hg NMR Parameters by Combining Ab Initio Molec..:

Schenberg, Leonardo Araujo ; Ducati, Lucas Colucci ; Autschbach, Jochen
Inorganic Chemistry. 63 (2024) 4 - p. 2082-2089 , 2024

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

8

The Counterintuitive Relationship between Orbital Energy, O..:

Branson, Jacob A. ; Smith, Patrick W. ; Sergentu, Dumitru-Claudiu...
Journal of the American Chemical Society. 146 (2024) 37 - p. 25640-25655 , 2024

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

9

How Much Electron Donation Is There In Transition Metal Com..:

Obeng, Augustine ; Autschbach, Jochen
Journal of Chemical Theory and Computation. 20 (2024) 12 - p. 4965-4976 , 2024

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

10

Exploring Spin‐Orbit Effects in a [Cu6Tl]+ Nanocluster Feat..:

Hertler, Phoebe R. ; Yu, Xiaojuan ; Brower, Jordan D....
Chemistry – A European Journal. 30 (2024) 25 - p. , 2024

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

11

Preparation of Neptunyl and Plutonyl Acetates To Access Non..:

Mikeska, Emily R. ; Wilson, Richard E. ; Sen, Asmita..
Journal of the American Chemical Society. 146 (2024) 31 - p. 21509-21524 , 2024

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

12

Realization of Organocerium-Based Fullerene Molecular Mater..:

Pandey, Pragati ; Wang, Xiaoyu ; Gupta, Himanshu...
ACS Applied Materials & Interfaces. 16 (2024) 14 - p. 17857-17869 , 2024

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

13

Roadmap on methods and software for electronic structure ba..:

Blum, Volker ; Asahi, Ryoji ; Autschbach, Jochen...
Electronic Structure. , 2024

Link: https://doi.org/10.1088/..

14

Modulation of Chiroptical and Photophysical Properties in H..:

Gauthier, Etienne S. ; Abella, Laura ; Caytan, Elsa...
Chemistry – A European Journal. 29 (2023) 21 - p. , 2023

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

15

Experimental and Computational Determination of a M–Cl Homo..:

Saju, Ananya ; Gunasekera, Parami S. ; Morgante, Pierpaolo...
Journal of the American Chemical Society. 145 (2023) 24 - p. 13384-13391 , 2023

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