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The Journal of Physical Chemistry Letters
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September 24, 2021
A Two-Step Baromechanical Cycle for Repeated Activation and Deactivation of Mechanophores
Sourabh Kumar, Felix Zeller, Tim Stauch
The Journal of Physical Chemistry. A
|
May 26, 2026
Enhancing Molecular High-Pressure Simulations by Implicit Solvation
Nico Kißing, Felix Zeller, Tim Neudecker
The Journal of Chemical Physics
|
February 22, 2024
Calculating high-pressure vibrational frequencies analytically with the extended hydrostatic compression force field approach
Rahel Weiß, Felix Zeller, Tim Neudecker
The Journal of Physical Chemistry. A
|
February 12, 2025
Using Conformational Sampling to Model Spectral and Structural Changes of Molecules at Elevated Pressures
Felix Zeller, Philipp Pracht, Tim Neudecker
Journal of Chemical Theory and Computation
|
January 17, 2025
An Integral-Direct GOSTSHYP Algorithm for the Computation of High Pressure Effects on Molecular and Electronic Structure
Ansgar Pausch, Felix Zeller, Tim Neudecker
ACS Omega
|
December 19, 2022
Trapping the Transition State in a [2,3]-Sigmatropic Rearrangement by Applying Pressure
Sourabh Kumar, Rahel Weiß, Felix Zeller, et al.
The Journal of Chemical Physics
|
November 15, 2022
An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screening
Felix Zeller, Eric Berquist, Evgeny Epifanovsky, et al.
Journal of Computational Chemistry
|
January 27, 2025
Achieving Pressure Consistency in Mechanochemical Simulations of Chemical Reactions Under Pressure
Jonas Bentrup, Rahel Weiß, Felix Zeller, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 10, 2022
Can a Finite Chain of Hydrogen Cyanide Molecules Model a Crystal?
Chieh-Min Hsieh, Björn Grabbet, Felix Zeller, et al.
Chemical Science
|
February 19, 2026
How to evaluate aromaticity under pressure? Benzene as a benchmark system
Jochen Eeckhoudt, Alexander Dellwisch, Annelene Plump, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry Letters
|
September 24, 2021
A Two-Step Baromechanical Cycle for Repeated Activation and Deactivation of Mechanophores
Sourabh Kumar, Felix Zeller, Tim Stauch
The Journal of Physical Chemistry. A
|
May 26, 2026
Enhancing Molecular High-Pressure Simulations by Implicit Solvation
Nico Kißing, Felix Zeller, Tim Neudecker
The Journal of Chemical Physics
|
February 22, 2024
Calculating high-pressure vibrational frequencies analytically with the extended hydrostatic compression force field approach
Rahel Weiß, Felix Zeller, Tim Neudecker
The Journal of Physical Chemistry. A
|
February 12, 2025
Using Conformational Sampling to Model Spectral and Structural Changes of Molecules at Elevated Pressures
Felix Zeller, Philipp Pracht, Tim Neudecker
Journal of Chemical Theory and Computation
|
January 17, 2025
An Integral-Direct GOSTSHYP Algorithm for the Computation of High Pressure Effects on Molecular and Electronic Structure
Ansgar Pausch, Felix Zeller, Tim Neudecker
ACS Omega
|
December 19, 2022
Trapping the Transition State in a [2,3]-Sigmatropic Rearrangement by Applying Pressure
Sourabh Kumar, Rahel Weiß, Felix Zeller, et al.
The Journal of Chemical Physics
|
November 15, 2022
An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screening
Felix Zeller, Eric Berquist, Evgeny Epifanovsky, et al.
Journal of Computational Chemistry
|
January 27, 2025
Achieving Pressure Consistency in Mechanochemical Simulations of Chemical Reactions Under Pressure
Jonas Bentrup, Rahel Weiß, Felix Zeller, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 10, 2022
Can a Finite Chain of Hydrogen Cyanide Molecules Model a Crystal?
Chieh-Min Hsieh, Björn Grabbet, Felix Zeller, et al.
Chemical Science
|
February 19, 2026
How to evaluate aromaticity under pressure? Benzene as a benchmark system
Jochen Eeckhoudt, Alexander Dellwisch, Annelene Plump, et al.
Page
of 2