Get started
Author

Jörg‐Rüdiger Hill

Observed names: J.-R. Hill, J.‐R. Hill, Jörg-Rüdiger Hill, J�rg-R. Hill
ORCID: 0000-0001-8083-2496
Observed ORCID: 0000-0001-8083-2496
OpenAlex ID: A5061844452
Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds
2001 · Carl S. Ewig, Rajiv Berry, et al. · Journal of Computational Chemistry · 90
Bridging Hydroxyl Groups in Faujasite: Periodic vs Cluster Density Functional Calculations
1999 · Jörg-Rüdiger Hill, Clive M. Freeman, et al. · The Journal of Physical Chemistry A · 76
The acidity of surface silanol groups. A theoretical estimate based on ab initio calculations on a model surface
1994 · Joachim Sauer, Jörg-Rüdiger Hill · Chemical Physics Letters · 71
Brønsted sites in zeolitic catalysts. An ab initio study of local geometries and of the barrier for proton jumps between neighbouring sites
1989 · J. Sauer, C.M. Kölmel, et al. · Chemical Physics Letters · 65
Retardation of setting of plaster of Paris by organic acids: Understanding the mechanism through molecular modeling
2004 · Jörg‐Rüdiger Hill, Johann Plank · Journal of Computational Chemistry · 62
Experimental and Molecular Modeling Evaluation of the Physicochemical Properties of Proline-Based Deep Eutectic Solvents
2017 · Adriaan van den Bruinhorst, Theodora Spyriouni, et al. · The Journal of Physical Chemistry B · 56
Use of Force Fields in Materials Modeling
2000 · Jörg‐Rüdiger Hill, Clive M. Freeman, et al. · Reviews in computational chemistry · 51
Carbon Dioxide Solubilities and Diffusivities in 1-Alkyl-3-methylimidazolium Tricyanomethanide Ionic Liquids: An Experimental and Modeling Study
2016 · Lawien F. Zubeir, Tim M. J. Nijssen, et al. · Journal of Chemical & Engineering Data · 42
Framework dynamics including computer simulations of the water adsorption isotherm of zeolite Na-MAP
2000 · Jörg-Rüdiger Hill, Alan R. Minihan, et al. · Physical Chemistry Chemical Physics · 30
Heterogeneous catalysis: looking forward with molecular simulation
1999 · J.W. Andzelm, A.E. Alvarado-Swaisgood, et al. · Catalysis Today · 24
Electrical Double Layer Capacitance of Curved Graphite Electrodes
2020 · Jannes Seebeck, Peter Schiffels, et al. · The Journal of Physical Chemistry C · 22
PDF
Molecular Modeling of Microporous Structures of Carbide-Derived Carbon-Based Supercapacitors
2017 · Sabine Schweizer, Robert Meißner, et al. · The Journal of Physical Chemistry C · 20
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field
2016 · Niki Vergadou, Eleni Androulaki, et al. · Physical Chemistry Chemical Physics · 20
Combined Computational and Experimental Study on the Influence of Surface Chemistry of Carbon-Based Electrodes on Electrode–Electrolyte Interactions in Supercapacitors
2019 · Sabine Schweizer, Johannes Landwehr, et al. · The Journal of Physical Chemistry C · 19
The structure and energetics of glycine polymorphs based on first principles simulation using density functional theory
1998 · C. M. Freeman, J. W. Andzelm, et al. · Chemical Communications · 19
Effect of Oxygenation on Carbon Dioxide Absorption and Thermophysical Properties of Ionic Liquids: Experiments and Modeling Using Electrolyte PC-SAFT
2016 · Lawien F. Zubeir, Theodora Spyriouni, et al. · Industrial & Engineering Chemistry Research · 18
Use of test particle calculations for the derivation of van der Waals parameters used in force fields
1997 · J�rg-R. Hill · Journal of Computational Chemistry · 18
Role of Cr in Fe based High Temperature Shift Catalysts
1998 · J. Koy, J. Ladebeck, et al. · Studies in surface science and catalysis · 11
Chameleon: A generalized, connectivity altering software for tackling properties of realistic polymer systems
2019 · Orestis Alexiadis, Nikolaos Cheimarios, et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 10
Ab initiocalculation of nuclear motion corrections to the geometries of water, methanol and silanol
1991 · Jörg-Rüdiger Hill, Joachim Sauer, et al. · Molecular Physics · 9
The structure of zeolite Na-MAP: Aiding Rietveld refinement by density functional calculations
2000 · Jörg-Rüdiger Hill, John A. Stuart, et al. · Physical Chemistry Chemical Physics · 8
Developing Combinatorial Support for High-Throughput Experimentation Applied to Heterogeneous Catalysis
2002 · D. Demuth, K.-E. Finger, et al. · ACS symposium series · 5
Machine-learned potentials for eucryptite: A systematic comparison
2023 · Jörg-Rüdiger Hill, Wolfgang Mannstadt · Journal of materials research/Pratt's guide to venture capital sources · 2
Density functional study of model species for nucleic acids and lipids
1997 · Jörg‐Rüdiger Hill, Congxin Liang · Berichte der Bunsengesellschaft für physikalische Chemie · 2
Developing Combinatorial Support for High‐Throughput Experimentation Applied to Heterogeneous Catalysis.
2002 · D. Demuth, K.‐E. Finger, et al. · ChemInform · 1
Works count: 31
Citation count: 751
H-index: 17
I10-index: 19
Year
Topic
Type