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Harald Oberhofer

Showing results (1-10 of 58) with videos related to

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Journal of Computational Chemistry|May 2, 2009
Efficient extraction of free energy profiles from nonequilibrium experimentsHarald Oberhofer, Christoph Dellago
The Journal of Chemical Physics|January 5, 2011
Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis setHarald Oberhofer, Jochen Blumberger
The Journal of Chemical Physics|August 21, 2009
Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactionsHarald Oberhofer, Jochen Blumberger
The Journal of Chemical Physics|August 2, 2013
First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalystsHarald Oberhofer, Karsten Reuter
The Journal of Chemical Physics|August 15, 2024
Designing building blocks of covalent organic frameworks through on-the-fly batch-based Bayesian optimizationYuxuan Yao, Harald Oberhofer
The Journal of Chemical Physics|July 6, 2019
Aspects of semiconductivity in soft, porous metal-organic framework crystalsChristoph Muschielok, Harald Oberhofer
Angewandte Chemie (International Ed. in English)|April 15, 2010
Insight into the mechanism of the Ru2+-Ru3+ electron self-exchange reaction from quantitative rate calculationsHarald Oberhofer, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP|August 4, 2012
Revisiting electronic couplings and incoherent hopping models for electron transport in crystalline C60 at ambient temperaturesHarald Oberhofer, Jochen Blumberger
Journal of Chemical Theory and Computation|December 22, 2021
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular SolutesJakob Filser, Karsten Reuter, Harald Oberhofer
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
Pageof 6

Showing results (1-10 of 58) with videos related to

Sort By:
Pageof 6
Journal of Computational Chemistry|May 2, 2009
Efficient extraction of free energy profiles from nonequilibrium experimentsHarald Oberhofer, Christoph Dellago
The Journal of Chemical Physics|January 5, 2011
Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis setHarald Oberhofer, Jochen Blumberger
The Journal of Chemical Physics|August 21, 2009
Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactionsHarald Oberhofer, Jochen Blumberger
The Journal of Chemical Physics|August 2, 2013
First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalystsHarald Oberhofer, Karsten Reuter
The Journal of Chemical Physics|August 15, 2024
Designing building blocks of covalent organic frameworks through on-the-fly batch-based Bayesian optimizationYuxuan Yao, Harald Oberhofer
The Journal of Chemical Physics|July 6, 2019
Aspects of semiconductivity in soft, porous metal-organic framework crystalsChristoph Muschielok, Harald Oberhofer
Angewandte Chemie (International Ed. in English)|April 15, 2010
Insight into the mechanism of the Ru2+-Ru3+ electron self-exchange reaction from quantitative rate calculationsHarald Oberhofer, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP|August 4, 2012
Revisiting electronic couplings and incoherent hopping models for electron transport in crystalline C60 at ambient temperaturesHarald Oberhofer, Jochen Blumberger
Journal of Chemical Theory and Computation|December 22, 2021
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular SolutesJakob Filser, Karsten Reuter, Harald Oberhofer
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
Pageof 6