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Efficient modelling of ion structure and dynamics in inorganic metal halide perovskites

Journal of materials chemistry. A, Materials for energy and sustainability, 2020-06, Vol.8 (23), p.11824-11836

2020

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Tuning the separation properties of zeolitic imidazolate framework core–shell structures via post-synthetic modification

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (48), p.25601-25608

2017

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The Si–Ge substitutional series in the chiral STW zeolite structure type

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (31), p.15110-15122

2018

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Critical Role of Dynamic Flexibility in Ge-Containing Zeolites: Impact on Diffusion

Chemistry : a European journal, 2016-07, Vol.22 (29), p.10036-10043

2016

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Stepped Propane Adsorption in Pure-Silica ITW Zeolite

Langmuir, 2018-04, Vol.34 (16), p.4774-4779

2018

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Influence of Flexibility on the Separation of Chiral Isomers in STW‐Type Zeolite

Chemistry : a European journal, 2018-03, Vol.24 (16), p.4121-4132

2018

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Entropic Separations of Mixtures of Aromatics by Selective Face-to-Face Molecular Stacking in One-Dimensional Channels of Metal-Organic Frameworks and Zeolites

Chemphyschem, 2015-02, Vol.16 (3), p.532-535

2015

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HPM‐16, a Stable Interrupted Zeolite with a Multidimensional Mixed Medium–Large Pore System Containing Supercages

Angewandte Chemie (International ed.), 2021-09, Vol.60 (37), p.20249-20252

International ed. in English, 2021

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Controlling Thermal Expansion: A Metal–Organic Frameworks Route

Chemistry of materials, 2016-11, Vol.28 (22), p.8296-8304

2016

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Allantoin‑zinc layered simple hydroxide biohybrid as antimicrobial active phase in cellulosic bionanocomposites as potential wound dressings

Applied clay science, 2023-09, Vol.241, p.107002, Article 107002

2023

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Nucleation of zeolitic imidazolate frameworks: from molecules to nanoparticles

Nanoscale, 2023-02, Vol.15 (7), p.354-3519

2023

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Synthesis of Extra‐Large Pore, Large Pore and Medium Pore Zeolites Using a Small Imidazolium Cation as the Organic Structure‐Directing Agent

Chemistry : a European journal, 2021-12, Vol.27 (72), p.18109-18117

2021

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Homochiral Metal–Organic Frameworks for Enantioselective Separations in Liquid Chromatography

Journal of the American Chemical Society, 2019-09, Vol.141 (36), p.14306-14316

2019

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Structural Features and Zeolite Stability: A Linearized Equation Approach

Crystal growth & design, 2024-02, Vol.24 (3), p.938-946

2024

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Atomic charges for modeling metal–organic frameworks: Why and how

Journal of solid state chemistry, 2015-03, Vol.223, p.144-151

2015

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Dication Containing Three Aromatic Ring Structure-Directs toward a Chiral Zeolite, Spans Three Cavities, and Effectively Traps Water

Chemistry of materials, 2022-04, Vol.34 (7), p.3197-3205

2022

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RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models

Molecular simulation, 2023-06, Vol.49 (9), p.893-953

2023

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Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles

Journal of chemical information and modeling, 2022-12, Vol.62 (24), p.6423-6435

2022

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Looking at the “Water-in-Deep-Eutectic-Solvent” System: A Dilution Range for High Performance Eutectics

ACS sustainable chemistry & engineering, 2019-11, Vol.7 (21), p.17565-17573

2019

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TAMOF‑1 as a Versatile and Predictable Chiral Stationary Phase for the Resolution of Racemic Mixtures

ACS applied materials & interfaces, 2023-08, Vol.15 (33), p.39594-39605

2023

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Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities

Molecular physics, 2023-10, Vol.ahead-of-print (ahead-of-print)

2023

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Effect of diol isomer/water mixtures on the stability of Zn-MOF-74

Dalton transactions : an international journal of inorganic chemistry, 2021-02, Vol.50 (5), p.1808-1815

2021

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Impact of the Nature of Exchangeable Cations on LTA-Type Zeolite Hydration

Journal of physical chemistry. C, 2016-10, Vol.120 (40), p.23254-23261

2016

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Zeolites for CO2–CO–O2 Separation to Obtain CO2‑Neutral Fuels

ACS applied materials & interfaces, 2018-06, Vol.10 (24), p.20512-20520

2018

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Separation of Volatile Organic Compounds in TAMOF‑1

ACS applied materials & interfaces, 2022-07, Vol.14 (27), p.30772-30785

2022

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Efficient modelling of ion structure and dynamics in inorganic metal halide perovskites

Tuning the separation properties of zeolitic imidazolate framework core–shell structures via post-synthetic modification

The Si–Ge substitutional series in the chiral STW zeolite structure type

Critical Role of Dynamic Flexibility in Ge-Containing Zeolites: Impact on Diffusion

Stepped Propane Adsorption in Pure-Silica ITW Zeolite

Influence of Flexibility on the Separation of Chiral Isomers in STW‐Type Zeolite

Entropic Separations of Mixtures of Aromatics by Selective Face-to-Face Molecular Stacking in One-Dimensional Channels of Metal-Organic Frameworks and Zeolites

HPM‐16, a Stable Interrupted Zeolite with a Multidimensional Mixed Medium–Large Pore System Containing Supercages

Controlling Thermal Expansion: A Metal–Organic Frameworks Route

Allantoin‑zinc layered simple hydroxide biohybrid as antimicrobial active phase in cellulosic bionanocomposites as potential wound dressings

Nucleation of zeolitic imidazolate frameworks: from molecules to nanoparticles

Synthesis of Extra‐Large Pore, Large Pore and Medium Pore Zeolites Using a Small Imidazolium Cation as the Organic Structure‐Directing Agent

Homochiral Metal–Organic Frameworks for Enantioselective Separations in Liquid Chromatography

Structural Features and Zeolite Stability: A Linearized Equation Approach

Atomic charges for modeling metal–organic frameworks: Why and how

Dication Containing Three Aromatic Ring Structure-Directs toward a Chiral Zeolite, Spans Three Cavities, and Effectively Traps Water

RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models

Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles

Looking at the “Water-in-Deep-Eutectic-Solvent” System: A Dilution Range for High Performance Eutectics

TAMOF‑1 as a Versatile and Predictable Chiral Stationary Phase for the Resolution of Racemic Mixtures

Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities

Effect of diol isomer/water mixtures on the stability of Zn-MOF-74

Impact of the Nature of Exchangeable Cations on LTA-Type Zeolite Hydration

Zeolites for CO2–CO–O2 Separation to Obtain CO2‑Neutral Fuels

Separation of Volatile Organic Compounds in TAMOF‑1

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