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Cisplatin uptake and release in pH sensitive zeolitic imidazole frameworks

The Journal of chemical physics, 2021-06, Vol.154 (24), p.244703-244703

2021

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Evaluation of Ideal Adsorbed Solution Theory as a Tool for the Design of Metal–Organic Framework Materials

Industrial & engineering chemistry research, 2012-04, Vol.51 (13), p.4911-4921

2012

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Understanding the Kinetic and Thermodynamic Origins of Xylene Separation in UiO-66(Zr) via Molecular Simulation

Journal of physical chemistry. C, 2016-08, Vol.120 (33), p.18651-18658

2016

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Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations

Journal of physical chemistry. C, 2012-09, Vol.116 (35), p.18899-18909

2012

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Effects of Surface Area, Free Volume, and Heat of Adsorption on Hydrogen Uptake in Metal−Organic Frameworks

The journal of physical chemistry. B, 2006-05, Vol.110 (19), p.9565-9570

2006

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Accurate Prediction of Methane Adsorption in a Metal–Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation

Journal of physical chemistry. C, 2011-11, Vol.115 (46), p.23074-23080

2011

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A Multiscale Study of MOFs as Adsorbents in H2 PSA Purification

Industrial & engineering chemistry research, 2013-07, Vol.52 (29), p.9946-9957

2013

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Elucidating the Breathing of the Metal–Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X‑ray Powder Diffraction Experiments

Journal of the American Chemical Society, 2013-10, Vol.135 (42), p.15763-15773

2013

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Calculating Geometric Surface Areas as a Characterization Tool for Metal−Organic Frameworks

Journal of physical chemistry. C, 2007-10, Vol.111 (42), p.15350-15356

2007

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Unusual Adsorption Behavior on Metal−Organic Frameworks

Langmuir, 2010-09, Vol.26 (18), p.14694-14699

2010

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p-Xylene-Selective Metal–Organic Frameworks: A Case of Topology-Directed Selectivity

Journal of the American Chemical Society, 2011-11, Vol.133 (46), p.18526-18529

2011

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Polymorphism of metal-organic frameworks: direct comparison of structures and theoretical N₂-uptake of topological pto- and tbo-isomers

Chemical communications (Cambridge, England), 2014-04, Vol.50 (32), p.4207-4210

2014

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Design of New Materials for Methane Storage

Langmuir, 2004-03, Vol.20 (7), p.2683-2689

2004

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Role of particle size and surface functionalisation on the flexibility behaviour of switchable metal-organic framework DUT-8(Ni)

Journal of materials chemistry. A, Materials for energy and sustainability, 2020-11, Vol.8 (43), p.2273-22711

2020

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Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure

Journal of the American Chemical Society, 2014-06, Vol.136 (24), p.8606-8613

2014

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Early stages of phase selection in MOF formation observed in molecular Monte Carlo simulations

RSC advances, 2019-01, Vol.9 (25), p.14382-1439

2019

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Origin of Enantioselectivity in a Chiral Metal–Organic Framework: A Molecular Simulation Study

Journal of physical chemistry. C, 2012-10, Vol.116 (39), p.20874-20881

2012

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Tuning the Mechanical Response of Metal–Organic Frameworks by Defect Engineering

Journal of the American Chemical Society, 2018-09, Vol.140 (37), p.11581-11584

2018

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Assessment of Isoreticular Metal−Organic Frameworks for Adsorption Separations: A Molecular Simulation Study of Methane/n-Butane Mixtures

The journal of physical chemistry. B, 2004-10, Vol.108 (40), p.15703-15708

2004

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Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework

Nature chemistry, 2011-04, Vol.3 (4), p.304-310

2011

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Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling

Nature communications, 2018-04, Vol.9 (1), p.1429-9, Article 1429

2018

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Structural Chemistry, Monoclinic-to-Orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives

Inorganic chemistry, 2011-11, Vol.50 (21), p.10844-10858

2011

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Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks

Journal of the American Chemical Society, 2018-01, Vol.140 (1), p.382-387

2018

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Grand-Canonical Monte Carlo Adsorption Studies on SBA‑2 Periodic Mesoporous Silicas

Journal of physical chemistry. C, 2014-11, Vol.118 (44), p.25441-25446

2014

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Hetero-Epitaxial Approach by Using Labile Coordination Sites to Prepare Catenated Metal-Organic Frameworks with High Surface Areas

Chemistry : a European journal, 2014-03, Vol.20 (13), p.3595-3599

2014

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Cisplatin uptake and release in pH sensitive zeolitic imidazole frameworks

Evaluation of Ideal Adsorbed Solution Theory as a Tool for the Design of Metal–Organic Framework Materials

Understanding the Kinetic and Thermodynamic Origins of Xylene Separation in UiO-66(Zr) via Molecular Simulation

Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations

Effects of Surface Area, Free Volume, and Heat of Adsorption on Hydrogen Uptake in Metal−Organic Frameworks

Accurate Prediction of Methane Adsorption in a Metal–Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation

A Multiscale Study of MOFs as Adsorbents in H2 PSA Purification

Elucidating the Breathing of the Metal–Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X‑ray Powder Diffraction Experiments

Calculating Geometric Surface Areas as a Characterization Tool for Metal−Organic Frameworks

Unusual Adsorption Behavior on Metal−Organic Frameworks

p-Xylene-Selective Metal–Organic Frameworks: A Case of Topology-Directed Selectivity

Polymorphism of metal-organic frameworks: direct comparison of structures and theoretical N₂-uptake of topological pto- and tbo-isomers

Design of New Materials for Methane Storage

Role of particle size and surface functionalisation on the flexibility behaviour of switchable metal-organic framework DUT-8(Ni)

Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure

Early stages of phase selection in MOF formation observed in molecular Monte Carlo simulations

Origin of Enantioselectivity in a Chiral Metal–Organic Framework: A Molecular Simulation Study

Tuning the Mechanical Response of Metal–Organic Frameworks by Defect Engineering

Assessment of Isoreticular Metal−Organic Frameworks for Adsorption Separations: A Molecular Simulation Study of Methane/n-Butane Mixtures

Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework

Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling

Structural Chemistry, Monoclinic-to-Orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives

Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks

Grand-Canonical Monte Carlo Adsorption Studies on SBA‑2 Periodic Mesoporous Silicas

Hetero-Epitaxial Approach by Using Labile Coordination Sites to Prepare Catenated Metal-Organic Frameworks with High Surface Areas

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