E-LIB Suche - Ergebnisse für: Töpfer, Kai

1

SCN as a local probe of protein structural dynamics:

Aydin, Sena ; Salehi, Seyedeh Maryam ; Töpfer, Kai.
The Journal of Chemical Physics. 161 (2024) 5 - p. , 2024

2

The first HyDRA challenge for computational vibrational spe..:

Fischer, Taija L. ; Bödecker, Margarethe ; Schweer, Sophie M....
Physical Chemistry Chemical Physics. 25 (2023) 33 - p. 22089-22102 , 2023

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

3

PhysNet meets CHARMM: A framework for routine machine learn..:

Song, Kaisheng ; Käser, Silvan ; Töpfer, Kai..
The Journal of Chemical Physics. 159 (2023) 2 - p. , 2023

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

4

Molecular-level understanding of the rovibrational spectra ..:

Töpfer, Kai ; Koner, Debasish ; Erramilli, Shyamsunder..
The Journal of Chemical Physics. 158 (2023) 14 - p. , 2023

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

5

Neural network potentials for chemistry: concepts, applicat..:

Käser, Silvan ; Vazquez-Salazar, Luis Itza ; Meuwly, Markus.
Digital Discovery. 2 (2023) 1 - p. 28-58 , 2023

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

6

Molecular Simulation for Atmospheric Reactions: Non-Equilib..:

Upadhyay, Meenu ; Töpfer, Kai ; Meuwly, Markus
The Journal of Physical Chemistry Letters. 15 (2023) 1 - p. 90-96 , 2023

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

7

Quantitative molecular simulations:

Töpfer, Kai ; Upadhyay, Meenu ; Meuwly, Markus
Physical Chemistry Chemical Physics. 24 (2022) 21 - p. 12767-12786 , 2022

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

8

Double proton transfer in hydrated formic acid dimer: Inter..:

Töpfer, Kai ; Käser, Silvan ; Meuwly, Markus
Physical Chemistry Chemical Physics. 24 (2022) 22 - p. 13869-13882 , 2022

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

9

Structure, Organization, and Heterogeneity of Water-Contain..:

Töpfer, Kai ; Pasti, Andrea ; Das, Anuradha...
Journal of the American Chemical Society. 144 (2022) 31 - p. 14170-14180 , 2022

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

10

Hydration dynamics and IR spectroscopy of 4-fluorophenol:

Salehi, Seyedeh Maryam ; Käser, Silvan ; Töpfer, Kai...
Physical Chemistry Chemical Physics. 24 (2022) 42 - p. 26046-26060 , 2022

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

11

Energy transfers in a weakly coupled gas-surface system: Th..:

Töpfer, Kai ; Füchsel, Gernot ; Tremblay, Jean Christophe
Surface Science. 706 (2021) - p. 121767 , 2021

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

12

Imaging Valence Electron Dynamics during Surface Diffusion:

Töpfer, Kai ; Dixit, Gopal ; Tremblay, Jean Christophe
The Journal of Physical Chemistry C. 125 (2021) 34 - p. 19032-19039 , 2021

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

13

Understanding the Interaction of CO and O2 with MgO(001) an..:

Töpfer, Kai , 2020

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

14

First-Principle Investigations of the Interaction between C..:

Töpfer, Kai ; Tremblay, Jean Christophe
The Journal of Physical Chemistry A. 122 (2018) 8 - p. 2307-2317 , 2018

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

15

How surface reparation prevents catalytic oxidation of carb..:

Töpfer, Kai ; Tremblay, Jean Christophe
Physical Chemistry Chemical Physics. 18 (2016) 27 - p. 18590-18597 , 2016

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