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Tim Pongratz

Showing results (1-10 of 8) with videos related to

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Journal of Chemical Theory and Computation|September 13, 2021
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 WaterBikramjit Sharma, Van Anh Tran, Tim Pongratz, et al.
The Journal of Physical Chemistry Letters|August 1, 2025
Origin of the pH Dependency of EPR Parameters: The Case of a Protonatable Nitroxide in Aqueous SolutionLaura Galazzo, Stefan Maste, Bikramjit Sharma, et al.
The Journal of Physical Chemistry. A|July 31, 2023
Dissecting the Molecular Origin of <i>g</i>-Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment versus TheoryVan Anh Tran, Markus Teucher, Laura Galazzo, et al.
Physical Chemistry Chemical Physics : PCCP|February 5, 2024
The accuracy limit of chemical shift predictions for species in aqueous solutionStefan Maste, Bikramjit Sharma, Tim Pongratz, et al.
Angewandte Chemie (International Ed. in English)|June 11, 2016
The Chemical Shift Baseline for High-Pressure NMR Spectra of ProteinsRoland Frach, Patrick Kibies, Saraphina Böttcher, et al.
Angewandte Chemie (International Ed. in English)|September 13, 2016
Corrigendum: The Chemical Shift Baseline for High-Pressure NMR Spectra of ProteinsRoland Frach, Patrick Kibies, Saraphina Böttcher, et al.
Biophysical Chemistry|December 28, 2019
Pressure-dependent electronic structure calculations using integral equation-based solvation modelsTim Pongratz, Patrick Kibies, Lukas Eberlein, et al.
Journal of Cheminformatics|December 23, 2017
11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015Uli Fechner, Chris de Graaf, Andrew E Torda, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|September 13, 2021
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 WaterBikramjit Sharma, Van Anh Tran, Tim Pongratz, et al.
The Journal of Physical Chemistry Letters|August 1, 2025
Origin of the pH Dependency of EPR Parameters: The Case of a Protonatable Nitroxide in Aqueous SolutionLaura Galazzo, Stefan Maste, Bikramjit Sharma, et al.
The Journal of Physical Chemistry. A|July 31, 2023
Dissecting the Molecular Origin of <i>g</i>-Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment versus TheoryVan Anh Tran, Markus Teucher, Laura Galazzo, et al.
Physical Chemistry Chemical Physics : PCCP|February 5, 2024
The accuracy limit of chemical shift predictions for species in aqueous solutionStefan Maste, Bikramjit Sharma, Tim Pongratz, et al.
Angewandte Chemie (International Ed. in English)|June 11, 2016
The Chemical Shift Baseline for High-Pressure NMR Spectra of ProteinsRoland Frach, Patrick Kibies, Saraphina Böttcher, et al.
Angewandte Chemie (International Ed. in English)|September 13, 2016
Corrigendum: The Chemical Shift Baseline for High-Pressure NMR Spectra of ProteinsRoland Frach, Patrick Kibies, Saraphina Böttcher, et al.
Biophysical Chemistry|December 28, 2019
Pressure-dependent electronic structure calculations using integral equation-based solvation modelsTim Pongratz, Patrick Kibies, Lukas Eberlein, et al.
Journal of Cheminformatics|December 23, 2017
11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015Uli Fechner, Chris de Graaf, Andrew E Torda, et al.
Pageof 1