about
Metal-organic and covalent organic frameworks as single-site catalysts.Acidity Constant (pKa ) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods.Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion.Efficient Construction of Free Energy Profiles of Breathing Metal-Organic Frameworks Using Advanced Molecular Dynamics Simulations.Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals.Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach.A Comparison of Barostats for the Mechanical Characterization of Metal-Organic Frameworks.The Importance of Cell Shape Sampling to Accurately Predict Flexibility in Metal-Organic Frameworks.Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal-Organic FrameworksModeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics SchemesExploring the Flexibility of MIL-47(V)-Type Materials Using Force Field Molecular Dynamics Simulations.Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystalsThermal unequilibrium of strained black CsPbI3 thin filmsOn the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
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name
Sven M. J. Rogge
@ast
Sven M. J. Rogge
@en
Sven M. J. Rogge
@es
Sven M. J. Rogge
@nl
type
label
Sven M. J. Rogge
@ast
Sven M. J. Rogge
@en
Sven M. J. Rogge
@es
Sven M. J. Rogge
@nl
prefLabel
Sven M. J. Rogge
@ast
Sven M. J. Rogge
@en
Sven M. J. Rogge
@es
Sven M. J. Rogge
@nl
P106
P1153
56723757100
P31
P496
0000-0003-4493-5708