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Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

The Journal of chemical physics, 2015-08, Vol.143 (6), p.064710-064710

2015

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Conductive metal-organic frameworks and networks: fact or fantasy?

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (38), p.1312-13132

2012

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Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation

Nature communications, 2020-02, Vol.11 (1), p.1059-1059, Article 1059

2020

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Engineering the Optical Response of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization

Journal of the American Chemical Society, 2013-07, Vol.135 (30), p.10942-10945

2013

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Rapid, Selective Heavy Metal Removal from Water by a Metal–Organic Framework/Polydopamine Composite

ACS central science, 2018-03, Vol.4 (3), p.349-356

2018

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Measuring Shared Electrons in Extended Molecular Systems: Covalent Bonds from Plane-Wave Representation of Wave Function

Molecules (Basel, Switzerland), 2021-07, Vol.26 (13), p.4044

2021

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Ligand design for long-range magnetic order in metal-organic frameworks

Chemical communications (Cambridge, England), 2014-01, Vol.50 (90), p.13990-13993

2014

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Metal–Organic Frameworks Invert Molecular Reactivity: Lewis Acidic Phosphonium Zwitterions Catalyze the Aldol-Tishchenko Reaction

Journal of the American Chemical Society, 2017-12, Vol.139 (50), p.18166-18169

2017

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Adsorbate-induced lattice deformation in IRMOF-74 series

Nature communications, 2017-01, Vol.8 (1), p.13945-13945, Article 13945

2017

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MOF Encapsulation of Ru Olefin Metathesis Catalysts to Block Catalyst Decomposition

Catalysts, 2020-06, Vol.10 (6), p.687

2020

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Free Energy of Ligand Removal in the Metal–Organic Framework UiO-66

Journal of physical chemistry. C, 2016-05, Vol.120 (17), p.9276-9281

2016

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CO2 Adsorption in M‑IRMOF-10 (M = Mg, Ca, Fe, Cu, Zn, Ge, Sr, Cd, Sn, Ba)

Journal of physical chemistry. C, 2016-06, Vol.120 (23), p.12819-12830

2016

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Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective

Journal of chemical theory and computation, 2010-04, Vol.6 (4), p.1064-1074

2010

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Transferable Force Field for Metal–Organic Frameworks from First-Principles: BTW-FF

Journal of chemical theory and computation, 2014-10, Vol.10 (10), p.4644-4652

2014

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A universal chemical potential for sulfur vapours

Chemical science (Cambridge), 2016-01, Vol.7 (2), p.1082-1092

2016

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Water-Based Synthesis and Enhanced CO 2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology

ACS sustainable chemistry & engineering, 2019-01, Vol.7 (1), p.394-402

2019

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Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology

ACS sustainable chemistry & engineering, 2019-01, Vol.7 (1), p.394-402

2019

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Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

Journal of physical chemistry. C, 2017-07, Vol.121 (28), p.15135-15144

2017

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Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (2), p.1551-1559

2017

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Mixed-metal Zr/Ti MIL-173 porphyrinic metal-organic frameworks as efficient photocatalysts towards solar-driven overall water splitting

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-11, Vol.1 (46), p.24938-2495

2022

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Synthesis and characterisation of antimicrobial metal-organic frameworks as multi-drug carriers

Dalton transactions : an international journal of inorganic chemistry, 2024-07, Vol.53 (28), p.11867-11875

2024

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Experimental and Theoretical Investigation of Hydrogen-Bonding Interactions in Cocrystals of Sulfaguanidine

Crystal growth & design, 2023-04, Vol.23 (4), p.2306-2320

2023

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Band gap modulation in zirconium-based metal-organic frameworks by defect engineering

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (41), p.23781-23786

2019

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Exploring the Crystal Structure Landscape of Sulfasalazine through Various Multicomponent Crystals

Crystal growth & design, 2023-08, Vol.23 (8), p.5446-5461

2023

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A universal chemical potential for sulfur vapoursElectronic supplementary information (ESI) available: Tabulated free energy and enthalpy data. Additional data and code available in external repositories with DOI: 10.5281/zenodo.28536; DOI: 10.6084/m9.figshare.151373; DOI: 10.6084/m9.figshare.1513833. See data access statement for more information. See DOI: 10.1039/c5sc03088a

2016-01

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Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

Conductive metal-organic frameworks and networks: fact or fantasy?

Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation

Engineering the Optical Response of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization

Rapid, Selective Heavy Metal Removal from Water by a Metal–Organic Framework/Polydopamine Composite

Measuring Shared Electrons in Extended Molecular Systems: Covalent Bonds from Plane-Wave Representation of Wave Function

Ligand design for long-range magnetic order in metal-organic frameworks

Metal–Organic Frameworks Invert Molecular Reactivity: Lewis Acidic Phosphonium Zwitterions Catalyze the Aldol-Tishchenko Reaction

Adsorbate-induced lattice deformation in IRMOF-74 series

MOF Encapsulation of Ru Olefin Metathesis Catalysts to Block Catalyst Decomposition

Free Energy of Ligand Removal in the Metal–Organic Framework UiO-66

CO2 Adsorption in M‑IRMOF-10 (M = Mg, Ca, Fe, Cu, Zn, Ge, Sr, Cd, Sn, Ba)

Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective

Transferable Force Field for Metal–Organic Frameworks from First-Principles: BTW-FF

A universal chemical potential for sulfur vapours

Water-Based Synthesis and Enhanced CO 2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology

Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations

Mixed-metal Zr/Ti MIL-173 porphyrinic metal-organic frameworks as efficient photocatalysts towards solar-driven overall water splitting

Synthesis and characterisation of antimicrobial metal-organic frameworks as multi-drug carriers

Experimental and Theoretical Investigation of Hydrogen-Bonding Interactions in Cocrystals of Sulfaguanidine

Band gap modulation in zirconium-based metal-organic frameworks by defect engineering

Exploring the Crystal Structure Landscape of Sulfasalazine through Various Multicomponent Crystals

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