E-LIB Suche - Ergebnisse für: Ehlert, Christopher

1

CO2 on Graphene: Benchmarking Computational Approaches to N..:

Ehlert, Christopher ; Piras, Anna ; Gryn'ova, Ganna
ACS Omega. 8 (2023) 39 - p. 35768-35778 , 2023

2

Metal-Free Molecular Catalysts for the Oxygen Reduction Rea..:

Ehlert, Christopher ; Piras, Anna ; Schleicher, Juliette.
The Journal of Physical Chemistry Letters. 14 (2023) 2 - p. 476-480 , 2023

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

3

Stereoinversion of tetrahedral p-block element hydrides:

Sigmund, Lukas M. ; Ehlert, Christopher ; Gryn'ova, Ganna.
The Journal of Chemical Physics. 156 (2022) 19 - p. , 2022

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

4

Why Ultrafast Photoinduced CO Desorption Dominates over Oxi..:

Tetenoire, Auguste ; Ehlert, Christopher ; Juaristi, J. I...
The Journal of Physical Chemistry Letters. 13 (2022) 36 - p. 8516-8521 , 2022

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

5

Sensing and sensitivity: Computational chemistry of graphen..:

Piras, Anna ; Ehlert, Christopher ; Gryn'ova, Ganna
WIREs Computational Molecular Science. 11 (2021) 5 - p. , 2021

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

6

Cover Image, Volume 11, Issue 5:

Piras, Anna ; Ehlert, Christopher ; Gryn'ova, Ganna
WIREs Computational Molecular Science. 11 (2021) 5 - p. , 2021

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

7

Dioxygen Activation and Pyrrole α‐Cleavage with Calix[4]pyr..:

Sigmund, Lukas Maximilian ; Ehlert, Christopher ; Enders, Markus...
Angewandte Chemie International Edition. 60 (2021) 28 - p. 15632-15640 , 2021

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

8

Disauerstoffaktivierung und Pyrrol‐α‐Spaltung mit Calix[4]p..:

Sigmund, Lukas Maximilian ; Ehlert, Christopher ; Enders, Markus...
Angewandte Chemie. 133 (2021) 28 - p. 15761-15769 , 2021

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

9

Au21 cage structures and their magic number tri‐cations:

Ehlert, Christopher ; Liu, Xiaojing J. ; Hamilton, Ian P.
International Journal of Quantum Chemistry. 120 (2020) 11 - p. , 2020

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

10

PSIXAS: A Psi4 plugin for efficient simulations of X‐ray ab..:

Ehlert, Christopher ; Klamroth, Tillmann
Journal of Computational Chemistry. 41 (2020) 19 - p. 1781-1789 , 2020

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

11

Iron doped gold cluster nanomagnets: ab initio determinatio..:

Ehlert, Christopher ; Hamilton, Ian P.
Nanoscale Advances. 1 (2019) 4 - p. 1553-1559 , 2019

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

12

Control of Oxidation and Spin State in a Single-Molecule Ju..:

Heinrich, Benjamin W. ; Ehlert, Christopher ; Hatter, Nino...
ACS Nano. 12 (2018) 4 - p. 3172-3177 , 2018

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

13

An efficient first principles method for molecular pump-pro..:

Ehlert, Christopher ; Gühr, Markus ; Saalfrank, Peter
The Journal of Chemical Physics. 149 (2018) 14 - p. , 2018

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

14

Synchrotron-radiation XPS analysis of ultra-thin silane fil..:

Dietrich, Paul M. ; Glamsch, Stephan ; Ehlert, Christopher...
Applied Surface Science. 363 (2016) - p. 406-411 , 2016

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

15

Systematic Investigation into the Matsuda–Heck Reaction of ..:

Schmidt, Bernd ; Wolf, Felix ; Ehlert, Christopher
The Journal of Organic Chemistry. 81 (2016) 22 - p. 11235-11249 , 2016

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