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Jochen Blumberger

Showing results (31-40 of 111) with videos related to

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Journal of Chemical Theory and Computation|July 24, 2020
An Iterative Fragment Scheme for the ACKS2 Electronic Polarization Model: Application to Molecular Dimers and ChainsPatrick Gütlein, Jochen Blumberger, Harald Oberhofer
The Journal of Chemical Physics|December 10, 2017
Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hoppingAntoine Carof, Samuele Giannini, Jochen Blumberger
Chemical Reviews|June 24, 2017
Charge Transport in Molecular Materials: An Assessment of Computational MethodsHarald Oberhofer, Karsten Reuter, Jochen Blumberger
Journal of Chemical Theory and Computation|December 3, 2015
Peptide Hydrolysis in Thermolysin:  Ab Initio QM/MM Investigation of the Glu143-Assisted Water Addition MechanismJochen Blumberger, Guillaume Lamoureux, Michael L Klein
Proceedings of the National Academy of Sciences of the United States of America|January 4, 2014
Electron flow in multiheme bacterial cytochromes is a balancing act between heme electronic interaction and redox potentialsMarian Breuer, Kevin M Rosso, Jochen Blumberger
Angewandte Chemie (International Ed. in English)|March 29, 2006
Formamide hydrolysis in alkaline aqueous solution: insight from Ab initio metadynamics calculationsJochen Blumberger, Bernd Ensing, Michael L Klein
The Journal of Chemical Physics|August 6, 2020
Ultrathin porphyrin and tetra-indole covalent organic frameworks for organic electronics applicationsOrestis George Ziogos, Itsaso Blanco, Jochen Blumberger
Proceedings of the National Academy of Sciences of the United States of America|November 15, 2017
Redox potentials in the decaheme cytochrome MtrF: Poisson-Boltzmann vs. molecular dynamics simulationsMarian Breuer, Kevin M Rosso, Jochen Blumberger
Biophysical Journal|December 20, 2015
Flavin Binding to the Deca-heme Cytochrome MtrC: Insights from Computational Molecular SimulationMarian Breuer, Kevin M Rosso, Jochen Blumberger
The Journal of Physical Chemistry Letters|August 18, 2015
Correction to "Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)"Fruzsina Gajdos, Harald Oberhofer, Michel Dupuis, et al.
Pageof 12

Showing results (31-40 of 111) with videos related to

Sort By:
Pageof 12
Journal of Chemical Theory and Computation|July 24, 2020
An Iterative Fragment Scheme for the ACKS2 Electronic Polarization Model: Application to Molecular Dimers and ChainsPatrick Gütlein, Jochen Blumberger, Harald Oberhofer
The Journal of Chemical Physics|December 10, 2017
Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hoppingAntoine Carof, Samuele Giannini, Jochen Blumberger
Chemical Reviews|June 24, 2017
Charge Transport in Molecular Materials: An Assessment of Computational MethodsHarald Oberhofer, Karsten Reuter, Jochen Blumberger
Journal of Chemical Theory and Computation|December 3, 2015
Peptide Hydrolysis in Thermolysin:  Ab Initio QM/MM Investigation of the Glu143-Assisted Water Addition MechanismJochen Blumberger, Guillaume Lamoureux, Michael L Klein
Proceedings of the National Academy of Sciences of the United States of America|January 4, 2014
Electron flow in multiheme bacterial cytochromes is a balancing act between heme electronic interaction and redox potentialsMarian Breuer, Kevin M Rosso, Jochen Blumberger
Angewandte Chemie (International Ed. in English)|March 29, 2006
Formamide hydrolysis in alkaline aqueous solution: insight from Ab initio metadynamics calculationsJochen Blumberger, Bernd Ensing, Michael L Klein
The Journal of Chemical Physics|August 6, 2020
Ultrathin porphyrin and tetra-indole covalent organic frameworks for organic electronics applicationsOrestis George Ziogos, Itsaso Blanco, Jochen Blumberger
Proceedings of the National Academy of Sciences of the United States of America|November 15, 2017
Redox potentials in the decaheme cytochrome MtrF: Poisson-Boltzmann vs. molecular dynamics simulationsMarian Breuer, Kevin M Rosso, Jochen Blumberger
Biophysical Journal|December 20, 2015
Flavin Binding to the Deca-heme Cytochrome MtrC: Insights from Computational Molecular SimulationMarian Breuer, Kevin M Rosso, Jochen Blumberger
The Journal of Physical Chemistry Letters|August 18, 2015
Correction to "Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)"Fruzsina Gajdos, Harald Oberhofer, Michel Dupuis, et al.
Pageof 12