E-LIB Suche - Ergebnisse für: Pongratz, Tim

1

The accuracy limit of chemical shift predictions for specie..:

Maste, Stefan ; Sharma, Bikramjit ; Pongratz, Tim...
Physical Chemistry Chemical Physics. 26 (2024) 7 - p. 6386-6395 , 2024

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

2

Dissecting the Molecular Origin of g-Tensor Heterogeneity a..:

Tran, Van Anh ; Teucher, Markus ; Galazzo, Laura...
The Journal of Physical Chemistry A. 127 (2023) 31 - p. 6447-6466 , 2023

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

3

Rism-based pressure-dependent computational spectroscopy:

Pongratz, Tim , 2022

Link: https://nbn-resolving.de..

4

A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cl..:

Sharma, Bikramjit ; Tran, Van Anh ; Pongratz, Tim...
Journal of Chemical Theory and Computation. 17 (2021) 10 - p. 6366-6386 , 2021

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

5

Pressure-dependent electronic structure calculations using ..:

Pongratz, Tim ; Kibies, Patrick ; Eberlein, Lukas...
Biophysical Chemistry. 257 (2020) - p. 106258 , 2020

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

6

Corrigendum: The Chemical Shift Baseline for High‐Pressure ..:

Frach, Roland ; Kibies, Patrick ; Böttcher, Saraphina...
Angewandte Chemie International Edition. 55 (2016) 39 - p. 11713-11713 , 2016

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

7

Berichtigung: Die Basislinie der chemischen Verschiebung in..:

Frach, Roland ; Kibies, Patrick ; Böttcher, Saraphina...
Angewandte Chemie. 128 (2016) 39 - p. 11887-11887 , 2016

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

8

Die Basislinie der chemischen Verschiebung in Hochdruck‐NMR..:

Frach, Roland ; Kibies, Patrick ; Böttcher, Saraphina...
Angewandte Chemie. 128 (2016) 30 - p. 8900-8904 , 2016

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

9

The Chemical Shift Baseline for High‐Pressure NMR Spectra o..:

Frach, Roland ; Kibies, Patrick ; Böttcher, Saraphina...
Angewandte Chemie International Edition. 55 (2016) 30 - p. 8757-8760 , 2016

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

10

Dissecting the Molecular Origin of g -Tensor Heterogeneity ..:

Tran, Thi Thanh Van ; Teucher, Markus ; Galazzo, Laura...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpca.3c02879. , 2023

Link: https://archive-ouverte...

11

Supplement to RISM-based pressure-dependant computational s..:

Pongratz, Tim
http://hdl.handle.net/2003/41194. , 2023

Link: http://hdl.handle.net/20..

12

Rism-based pressure-dependent computational spectroscopy:

Pongratz, Tim
http://hdl.handle.net/2003/41214. , 2022

Link: http://hdl.handle.net/20..

13

A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cl..:

Sharma, Bikramjit ; Tran, Van Anh ; Pongratz, Tim...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jctc.1c00582. , 2021

Link: https://archive-ouverte...

14

A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cl..:

Bikramjit Sharma (1476895) ; Van Anh Tran (11427373) ; Tim Pongratz (11427376)...
https://figshare.com/articles/journal_contribution/A_Joint_Venture_of_Ab_Initio_Molecular_Dynamics_Coupled_Cluster_Electronic_Structure_Methods_and_Liquid-State_Theory_to_Compute_Accurate_Isotropic_Hyperfine_Constants_of_Nitroxide_Probes_in_Water/16613596. , 2021

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

15

Fibroblast‐like synoviocytes preferentially induce terminal..:

Bleck, Dennis ; Loacker‐Schöch, Klara ; Classen, Tim...
Immunology. , 2024

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