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Rochus Schmid

Showing results (11-20 of 57) with videos related to

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Journal of Chemical Theory and Computation|January 17, 2019
High Order Compact Multigrid Solver for Implicit Solvation ModelsArcesio Castañeda Medina, Rochus Schmid
The Journal of Chemical Physics|May 13, 2024
Dielectric response of metal-organic frameworks as a function of confined guest species investigated by molecular dynamics simulationsBabak Farhadi Jahromi, Rochus Schmid
The Journal of Chemical Physics|September 24, 2017
Verlet-like algorithms for Car-Parrinello molecular dynamics with unequal electronic occupationsArcesio Castañeda Medina, Rochus Schmid
Frontiers in Chemistry|November 11, 2021
Molecular Dynamics Simulations of the Breathing Phase Transition of MOF Nanocrystallites II: Explicitly Modeling the Pressure MediumLarissa Schaper, Julian Keupp, Rochus Schmid
The Journal of Physical Chemistry. A|March 27, 2025
Quantum Chemical Study on the Evolution of Sulfur Functional Groups during Char BurnoutBastian Schnieder, Rochus Schmid, Christof Hättig
The Journal of Physical Chemistry Letters|August 16, 2015
Surface Termination of the Metal-Organic Framework HKUST-1: A Theoretical InvestigationSaeed Amirjalayer, Maxim Tafipolsky, Rochus Schmid
Journal of Computational Chemistry|February 16, 2007
Ab initio parametrized MM3 force field for the metal-organic framework MOF-5Maxim Tafipolsky, Saeed Amirjalayer, Rochus Schmid
Angewandte Chemie (International Ed. in English)|November 30, 2006
Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamicsSaeed Amirjalayer, Maxim Tafipolsky, Rochus Schmid
Faraday Discussions|October 27, 2020
Influence of flexible side-chains on the breathing phase transition of pillared layer MOFs: a force field investigationJulian Keupp, Johannes P Dürholt, Rochus Schmid
Dalton Transactions (Cambridge, England : 2003)|January 7, 2016
Coarse graining of force fields for metal-organic frameworksJohannes P Dürholt, Raimondas Galvelis, Rochus Schmid
Pageof 6

Showing results (11-20 of 57) with videos related to

Sort By:
Pageof 6
Journal of Chemical Theory and Computation|January 17, 2019
High Order Compact Multigrid Solver for Implicit Solvation ModelsArcesio Castañeda Medina, Rochus Schmid
The Journal of Chemical Physics|May 13, 2024
Dielectric response of metal-organic frameworks as a function of confined guest species investigated by molecular dynamics simulationsBabak Farhadi Jahromi, Rochus Schmid
The Journal of Chemical Physics|September 24, 2017
Verlet-like algorithms for Car-Parrinello molecular dynamics with unequal electronic occupationsArcesio Castañeda Medina, Rochus Schmid
Frontiers in Chemistry|November 11, 2021
Molecular Dynamics Simulations of the Breathing Phase Transition of MOF Nanocrystallites II: Explicitly Modeling the Pressure MediumLarissa Schaper, Julian Keupp, Rochus Schmid
The Journal of Physical Chemistry. A|March 27, 2025
Quantum Chemical Study on the Evolution of Sulfur Functional Groups during Char BurnoutBastian Schnieder, Rochus Schmid, Christof Hättig
The Journal of Physical Chemistry Letters|August 16, 2015
Surface Termination of the Metal-Organic Framework HKUST-1: A Theoretical InvestigationSaeed Amirjalayer, Maxim Tafipolsky, Rochus Schmid
Journal of Computational Chemistry|February 16, 2007
Ab initio parametrized MM3 force field for the metal-organic framework MOF-5Maxim Tafipolsky, Saeed Amirjalayer, Rochus Schmid
Angewandte Chemie (International Ed. in English)|November 30, 2006
Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamicsSaeed Amirjalayer, Maxim Tafipolsky, Rochus Schmid
Faraday Discussions|October 27, 2020
Influence of flexible side-chains on the breathing phase transition of pillared layer MOFs: a force field investigationJulian Keupp, Johannes P Dürholt, Rochus Schmid
Dalton Transactions (Cambridge, England : 2003)|January 7, 2016
Coarse graining of force fields for metal-organic frameworksJohannes P Dürholt, Raimondas Galvelis, Rochus Schmid
Pageof 6