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R. Bell · SciRah

Researcher profile · Semantic Scholar

R. Bell

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R. Bell — researcher profile on SciRah

h-index: 38
Works: 134
Citations: 4,905

Most-cited papers

Advances in theory and their application within the field of zeolite chemistry.
V. Van Speybroeck, K. Hemelsoet, L. Joos, M. Waroquier +2 more
2015Chemical Society Reviews367 citations Open access
Semantic Scholar
Molecular dynamics simulations of breathing MOFs: structural transformations of MIL-53(Cr) upon thermal activation and CO2 adsorption.
F. Salles, A. Ghoufi, G. Maurin, R. Bell +2 more
2008Angewandte Chemie289 citations
Semantic Scholar
Functionalized MOFs for Enhanced CO2 Capture
A. Torrisi, R. Bell, C. Mellot-Draznieks
2010279 citations Open access
Semantic Scholar
Adsorption mechanism of carbon dioxide in faujasites: grand canonical monte carlo simulations and microcalorimetry measurements.
G. Maurin, P. Llewellyn, R. Bell
2005Journal of Physical Chemistry B195 citations
Semantic Scholar
A zeolite family with chiral and achiral structures built from the same building layer.
Liqiu Tang, Lei Shi, Charlotte Bonneau, Jun-Liang Sun +8 more
2008Nature Materials189 citations
Semantic Scholar
Impact of ligands on CO(2) adsorption in metal-organic frameworks: First principles study of the interaction of CO(2) with functionalized benzenes. II. Effect of polar and acidic substituents.
A. Torrisi, C. Mellot-Draznieks, R. Bell
2010Journal of Chemical Physics176 citations
Semantic Scholar
Impact of ligands on CO2 adsorption in metal-organic frameworks: first principles study of the interaction of CO2 with functionalized benzenes. I. Inductive effects on the aromatic ring.
A. Torrisi, C. Mellot-Draznieks, R. Bell
2009Journal of Chemical Physics143 citations
Semantic Scholar
Chemically feasible hypothetical crystalline networks
M. D. Foster, Alexandra Simperler, R. Bell, O. Friedrichs +2 more
2004Nature Materials109 citations
Semantic Scholar
Sorption-Induced Breathing in the Flexible Metal Organic Framework CrMIL-53: Force-Field Simulations and Electronic Structure Analysis
D. Coombes, F. Corà, C. Mellot-Draznieks, R. Bell
200970 citations
Semantic Scholar
Chemical evaluation of hypothetical uninodal zeolites.
M. D. Foster, Olaf Delgado Friedrichs, R. Bell, F. A. Almeida Paz +1 more
2004Journal of the American Chemical Society69 citations
Semantic Scholar
Influence of Zeolite Topology on CO2/N2 Separation Behavior: Force-Field Simulations Using a DFT-Derived Charge Model
M. Fischer, R. Bell
201263 citations
Semantic Scholar
Nanoporous oxidic solids: the confluence of heterogeneous and homogeneous catalysis.
J. Thomas, J. Hernández‐Garrido, R. Raja, R. Bell
2009Physical Chemistry, Chemical Physics - PCCP62 citations
Semantic Scholar
Cation mobility and the sorption of chloroform in zeolite NaY: molecular dynamics study.
N. Ramsahye, R. Bell
2005Journal of Physical Chemistry B58 citations
Semantic Scholar
Probing the acid strength of Bronsted acidic zeolites with acetonitrile: An atomistic and quantum chemical study
Alexandra Simperler, R. Bell, M. D. Foster, A. E. Gray +2 more
200458 citations
Semantic Scholar
CO2 Capture in Wet and Dry Superbase Ionic Liquids
S. F. Rebecca Taylor, Corina McCrellis, Claire McStay, J. Jacquemin +4 more
2015Journal of Solution Chemistry56 citations Open access
Semantic Scholar
Predicting the impact of functionalized ligands on CO2 adsorption in MOFs: A combined DFT and Grand Canonical Monte Carlo study
A. Torrisi, R. Bell, C. Mellot-Draznieks
201352 citations
Semantic Scholar
Diffusion of methanol in zeolite NaY: a molecular dynamics study.
D. Plant, G. Maurin, R. Bell
2007Journal of Physical Chemistry B52 citations
Semantic Scholar
Modeling the effect of hydration in zeolite Na+-mordenite
G. Maurin, R. Bell, S. Devautour, François Henn +1 more
200452 citations
Semantic Scholar
Interaction of hydrogen and carbon dioxide with sod-type zeolitic imidazolate frameworks: a periodic DFT-D study
M. Fischer, R. Bell
201449 citations
Semantic Scholar
Structural evaluation of systematically enumerated hypothetical uninodal zeolites.
M. D. Foster, Olaf Delgado Friedrichs, R. Bell, F. A. Almeida Paz +1 more
2003Angewandte Chemie48 citations Open access
Semantic Scholar
Cation exchange, dehydration, and calcination in clinoptilolite: In situ X-ray diffraction and computer modeling
Matthew P. Johnson, David O'Connor, P. Barnes, C. Catlow +5 more
200344 citations
Semantic Scholar
Modeling the framework stability and catalytic activity of pure and transition metal-doped zeotypes
F. Corà, M. Alfredsson, C. M. Barker, R. Bell +4 more
200344 citations
Semantic Scholar
Adsorption of Non Polar and Quadrupolar Gases in Siliceous Faujasite: Molecular Simulations and Experiments
G. Maurin, R. Bell, B. Kuchta, Thomas Poyet +1 more
200541 citations
Semantic Scholar
Framework flexibility-driven CO2 adsorption on a zeolite
Hyun June Choi, Jung-Gi Min, S. Ahn, Ji-Ho Shin +6 more
2020Materials Horizons39 citations Open access
Semantic Scholar
Isomorphism between ice and silica.
G. A. Tribello, B. Slater, M. Zwijnenburg, R. Bell
2010Physical Chemistry, Chemical Physics - PCCP35 citations
Semantic Scholar
Toward understanding the thermodynamic viability of zeolites and related frameworks through a simple topological model
M. Zwijnenburg, S. Bromley, M. D. Foster, R. Bell +3 more
200435 citations
Semantic Scholar
Hypothetical binodal zeolitic frameworks.
Alexandra Simperler, M. D. Foster, O. Delgado Friedrichs, R. Bell +2 more
2005Acta Crystallographica Section B Structural Science33 citations Open access
Semantic Scholar
Anion-promoted cation motion and conduction in zeolites.
E. Jordan, R. Bell, D. Wilmer, H. Koller
2006Journal of the American Chemical Society30 citations
Semantic Scholar
A General Strategy for the Design of New Solid Catalysts for Environmentally Benign Conversions
J. Thomas, J. Hernández‐Garrido, R. Bell
200929 citations
Semantic Scholar
Cation migration upon adsorption of methanol in NaY and NaX faujasite systems: a molecular dynamics approach.
G. Maurin, D. Plant, François Henn, R. Bell
2006Journal of Physical Chemistry B29 citations
Semantic Scholar
Probing the Acid Strength of Brønsted Acidic Zeolites with Acetonitrile: Quantum Chemical Calculation of 1H, 15N, and 13C NMR Shift Parameters
Alexandra Simperler, R. Bell, Michael W. Anderson
200428 citations
Semantic Scholar
Adsorption of methanol on zeolites X and Y. An atomistic and quantum chemical study.
D. Plant, Alexandra Simperler, R. Bell
2006Journal of Physical Chemistry B27 citations
Semantic Scholar
Tracking the formation of cobalt substituted ALPO-5 using simultaneous in situ X-ray diffraction and X-ray absorption spectroscopy techniques.
K. Simmance, G. Sankar, R. Bell, C. Prestipino +1 more
2010Physical Chemistry, Chemical Physics - PCCP26 citations
Semantic Scholar
Mechanisms of CO2 capture in ionic liquids: a computational perspective.
M. Mercy, N. D. de Leeuw, R. Bell
2016Faraday discussions24 citations
Semantic Scholar
Identifying Promising Zeolite Frameworks for Separation Applications: A Building-Block-Based Approach
M. Fischer, R. Bell
201324 citations
Semantic Scholar
The Extremely High Specificity of N-Methyldicyclohexylamine for the Production of the Large-Pore Microporous AFI Material
M. Sánchez-Sánchez, G. Sankar, Alexandra Simperler, R. Bell +2 more
200324 citations
Semantic Scholar
3D-3D topotactic transformation in aluminophosphate molecular sieves and its implication in new zeolite structure generation
Zhehao Huang, Seungwan Seo, Ji-Ho Shin, Bin Wang +3 more
2020Nature Communications23 citations Open access
Semantic Scholar
Modeling CO2 Adsorption in Zeolites Using DFT-Derived Charges: Comparing System-Specific and Generic Models
M. Fischer, R. Bell
201323 citations
Semantic Scholar
Simulation of the adsorption properties of CH4 in faujasites up to high pressure: Comparison with microcalorimetry
G. Maurin, S. Bourrelly, P. Llewellyn, R. Bell
200622 citations
Semantic Scholar
Tetrahedral distortion and energetic packing penalty in "zeolite" frameworks: linked phenomena?
M. Zwijnenburg, Alexandra Simperler, Stephen A. Wells, R. Bell
2005Journal of Physical Chemistry B22 citations
Semantic Scholar
Theoretical Study of Toluene Adsorbed on Zeolites X and Y: Calculation of 13C NMR Parameters
Alexandra Simperler, R. Bell, Andreas Philippou, Michael W. Anderson
200220 citations
Semantic Scholar
On the performance of DFT and interatomic potentials in predicting the energetics of (three-membered ring-containing) siliceous materials.
M. Zwijnenburg, F. Corà, R. Bell
2007Journal of Physical Chemistry B18 citations
Semantic Scholar
Hypothetical Uninodal Zeolite Structures: Comparison of AlPO4 and SiO2 Compositions Using Computer Simulation
Alexandra Simperler, M. D. Foster, R. Bell, J. Klinowski
200418 citations
Semantic Scholar
The addition of CO₂ to four superbase ionic liquids: a DFT study.
M. Mercy, S. F. Rebecca Taylor, J. Jacquemin, C. Hardacre +2 more
2015Physical Chemistry, Chemical Physics - PCCP16 citations Open access
Semantic Scholar
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline BeF2, BeCl2, SiO2, and SiS2.
M. Zwijnenburg, F. Corà, R. Bell
2008Journal of the American Chemical Society16 citations
Semantic Scholar
Absence of Limitations on the Framework Density and Pore Size of High-Silica Zeolites
M. Zwijnenburg, R. Bell
200816 citations
Semantic Scholar
A dispersion-corrected density-functional theory study of small molecules adsorbed in alkali-exchanged chabazites
M. Fischer, R. Bell
201215 citations
Semantic Scholar
Cation-exchanged SAPO-34 for adsorption-based hydrocarbon separations: predictions from dispersion-corrected DFT calculations.
M. Fischer, R. Bell
2014Physical Chemistry, Chemical Physics - PCCP14 citations
Semantic Scholar
Structure, bonding and physical properties of tetragonal and orthorhombic SiS2 from (hybrid) DFT calculations
M. Zwijnenburg, R. Bell, F. Corà
200814 citations
Semantic Scholar
Modeling the concentration dependence of the methanol self-diffusivity in faujasite systems: comparison with the liquid phase.
D. Plant, G. Maurin, R. Bell
2006Journal of Physical Chemistry B14 citations
Semantic Scholar

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Alexandra Simperler — researcher profile on SciRah
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M. Zwijnenburg×7
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C. Mellot-Draznieks

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