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A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles: development and implementation

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (45), p.27731-27741

2022

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Strong metal-support interaction improves activity and stability of Pt electrocatalysts on doped metal oxides

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (13), p.8765-8772

2018

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Characterization of the alkali metal oxalates (MC2O4−) and their formation by CO2 reduction via the alkali metal carbonites (MCO2−)

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (14), p.7460-7473

2020

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Metal-organic frameworks for photocatalysis

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (11), p.7563-7572

2016

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Density functional theory for transition metals and transition metal chemistry

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (46), p.10757-10816

2009

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Infrared study of the influence of reducible iron(III) metal sites on the adsorption of CO, CO2, propane, propene and propyne in the mesoporous metal―organic framework MIL-100

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (24), p.11748-11756

2011

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The effects of central metals on the photophysical and nonlinear optical properties of reduced graphene oxide-metal(II) phthalocyanine hybrids

Physical chemistry chemical physics : PCCP, 2015-03, Vol.17 (11), p.7149-7157

2015

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An oxygen-passivated vanadium cluster [V@V10O15]− with metal–metal coordination produced by reacting Vn− with O2

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (2), p.921-927

2021

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Emergence of superconductivity by intercalation of alkali metals and alkaline earth metals in Janus transition-metal dichalcogenide heterostructures

Physical chemistry chemical physics : PCCP, 2024-10, Vol.26 (38), p.24881-24893

2024

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Understanding 2p core-level excitons of late transition metals by analysis of mixed-valence copper in a metal-organic framework

Physical chemistry chemical physics : PCCP, 2024-04, Vol.26 (15), p.1198-11987

2024

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Metal-organic framework as an efficient filter for the removal of heavy metal cations in water

Physical chemistry chemical physics : PCCP, 2018-12, Vol.20 (48), p.30384-30391

2018

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Pressure-induced metallicity and piezoreductive transition of metal-centres in conductive 2-dimensional metal-organic frameworks

Physical chemistry chemical physics : PCCP, 2019-11, Vol.21 (46), p.25773-25778

2019

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Gas-phase reactions driven by polarized metal-metal bonding in atomic clusters

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (6), p.4444-4459

2023

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CoCrMo metal-on-metal hip replacements

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (3), p.746-756

2013

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A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles and its applications

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (45), p.27742-2775

2022

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Electronic structure and magnetic properties of transition metal kagome metal-organic frameworks

Physical chemistry chemical physics : PCCP, 2022-09, Vol.24 (36), p.22168-2218

2022

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Cyanide-isocyanide isomerization: stability and bonding in noble gas inserted metal cyanides (metal = Cu, Ag, Au)

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (27), p.18491-18502

2018

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Metal-organic framework-derived metal oxides for resistive gas sensing: a review

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (48), p.32747-32762

2023

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Sulfur adsorption on coinage metal(100) surfaces: propensity for metal-sulfur complex formation relative to (111) surfaces

Physical chemistry chemical physics : PCCP, 2019-12, Vol.21 (48), p.26483-26491

2019

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Adsorption of rare earth metals: A review of recent literature

Journal of molecular liquids, 2016-09, Vol.221, p.954-962

2016

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Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (16), p.11196-11205

2018

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Exceptional metal-semiconductor-metal transition of lead apatites via oxygen defect tuning

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (4), p.3029-3035

2024

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Metal-organic Kagome lattices M3(2,3,6,7,10,11-hexaiminotriphenylene)2 (M = Ni and Cu): from semiconducting to metallic by metal substitution

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (8), p.5954-5958

2015

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Effect of metal-ligand interactions on magnetic characteristics of two-dimensional Kagome structured perthiolated coronene (PTC) metal-organic frameworks (MOFs)

Physical chemistry chemical physics : PCCP, 2024-08, Vol.26 (32), p.21767-21776

2024

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Computational approaches to dissociative chemisorption on metals: towards chemical accuracy

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.8962-948

Kroes, Geert-Jan

2021

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A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles: development and implementation

Strong metal-support interaction improves activity and stability of Pt electrocatalysts on doped metal oxides

Characterization of the alkali metal oxalates (MC2O4−) and their formation by CO2 reduction via the alkali metal carbonites (MCO2−)

Metal-organic frameworks for photocatalysis

Density functional theory for transition metals and transition metal chemistry

Infrared study of the influence of reducible iron(III) metal sites on the adsorption of CO, CO2, propane, propene and propyne in the mesoporous metal―organic framework MIL-100

The effects of central metals on the photophysical and nonlinear optical properties of reduced graphene oxide-metal(II) phthalocyanine hybrids

An oxygen-passivated vanadium cluster [V@V10O15]− with metal–metal coordination produced by reacting Vn− with O2

Emergence of superconductivity by intercalation of alkali metals and alkaline earth metals in Janus transition-metal dichalcogenide heterostructures

Understanding 2p core-level excitons of late transition metals by analysis of mixed-valence copper in a metal-organic framework

Metal-organic framework as an efficient filter for the removal of heavy metal cations in water

Pressure-induced metallicity and piezoreductive transition of metal-centres in conductive 2-dimensional metal-organic frameworks

Gas-phase reactions driven by polarized metal-metal bonding in atomic clusters

CoCrMo metal-on-metal hip replacements

A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles and its applications

Electronic structure and magnetic properties of transition metal kagome metal-organic frameworks

Cyanide-isocyanide isomerization: stability and bonding in noble gas inserted metal cyanides (metal = Cu, Ag, Au)

Metal-organic framework-derived metal oxides for resistive gas sensing: a review

Sulfur adsorption on coinage metal(100) surfaces: propensity for metal-sulfur complex formation relative to (111) surfaces

Adsorption of rare earth metals: A review of recent literature

Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities

Exceptional metal-semiconductor-metal transition of lead apatites via oxygen defect tuning

Metal-organic Kagome lattices M3(2,3,6,7,10,11-hexaiminotriphenylene)2 (M = Ni and Cu): from semiconducting to metallic by metal substitution

Effect of metal-ligand interactions on magnetic characteristics of two-dimensional Kagome structured perthiolated coronene (PTC) metal-organic frameworks (MOFs)

Computational approaches to dissociative chemisorption on metals: towards chemical accuracy

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