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Amine functionalized porous silica for CO2/CH4 separation by adsorption: Which amine and why

Chemical engineering journal (Lausanne, Switzerland : 1996), 2018-03, Vol.336, p.612-621

2018

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Control of crystallite and particle size in the synthesis of layered double hydroxides: Macromolecular insights and a complementary modeling tool

Journal of colloid and interface science, 2016-04, Vol.468, p.86-94

2016

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Water adsorption on a copper formate paddlewheel model of CuBTC: A comparative MP2 and DFT study

Chemical physics letters, 2013-11, Vol.587, p.7-13

2013

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Descriptors controlling the catalytic activity of metallic surfaces toward water splitting

Journal of catalysis, 2010-11, Vol.276 (1), p.92-100

2010

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Influence of step sites in the molecular mechanism of the water gas shift reaction catalyzed by copper

Journal of catalysis, 2009-11, Vol.268 (1), p.131-141

2009

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Diffusion of quercetin in compressed liquid ethyl acetate and ethanol

Journal of molecular liquids, 2021-02, Vol.324, p.114714, Article 114714

2021

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Topological analysis of the metal-support interaction: the case of Pd atoms on oxide surfaces

Chemical physics letters, 2004-04, Vol.388 (1), p.132-138

2004

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MXenes as promising catalysts for water dissociation

Applied catalysis. B, Environmental, 2020-01, Vol.260, p.118191, Article 118191

2020

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Viral surface glycoproteins, gp120 and gp41, as potential drug targets against HIV-1: Brief overview one quarter of a century past the approval of zidovudine, the first anti-retroviral drug

European journal of medicinal chemistry, 2011-04, Vol.46 (4), p.979-992

2011

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Unraveling the mechanism of the NO reduction by CO on gold based catalysts

Journal of catalysis, 2012-05, Vol.289, p.11-20

2012

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Unravelling the Structure of Chemisorbed CO2 Species in Mesoporous Aminosilicas: A Critical Survey

Environmental science & technology, 2019-03, Vol.53 (5), p.2758-2767

2019

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Universal model for accurate calculation of tracer diffusion coefficients in gas, liquid and supercritical systems

Journal of Chromatography A, 2013-05, Vol.1290, p.1-26

2013

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Non-ionic hydrophobic eutectics - versatile solvents for tailored metal separation and valorisation

Green chemistry : an international journal and green chemistry resource : GC, 2020-05, Vol.22 (9), p.281-282

2020

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Structure of Chemisorbed CO2 Species in Amine-Functionalized Mesoporous Silicas Studied by Solid-State NMR and Computer Modeling

Journal of the American Chemical Society, 2017-01, Vol.139 (1), p.389-408

2017

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The effect of atomic point charges on adsorption isotherms of CO2 and water in metal organic frameworks

Adsorption : journal of the International Adsorption Society, 2020, Vol.26 (5), p.663-685

2020

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The determining role of T species in the catalytic potential of MXenes: Water adsorption and dissociation on Mo2CT

Catalysis today, 2023-12, Vol.424, p.113848, Article 113848

2023

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Gas-phase molecular structure and energetics of anionic silicates

Geochimica et cosmochimica acta, 2008-09, Vol.72 (17), p.4421-4439

2008

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Improving the functionality and performance of AA2024 corrosion sensing coatings with nanocontainers

Chemical engineering journal (Lausanne, Switzerland : 1996), 2018-06, Vol.341, p.526-538

2018

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Mechanisms of phase separation in temperature-responsive acidic aqueous biphasic systems

Physical chemistry chemical physics : PCCP, 2019-04, Vol.21 (14), p.7462-7473

2019

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Identifying the presence of subsurface oxygen on the Ti3C2 MXene using H2O as a probe molecule: A DFT study

Computational and theoretical chemistry, 2024-09, Vol.1239, p.114761, Article 114761

2024

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A Transferable Model for Adsorption in MOFs with Unsaturated Metal Sites

Journal of physical chemistry. C, 2017-01, Vol.121 (1), p.441-458

2017

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A molecular dynamics framework to explore the structure and dynamics of layered double hydroxides

Applied clay science, 2018-10, Vol.163, p.164-177

2018

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Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis

Chemical Society reviews, 2014-01, Vol.43 (14), p.4922-4939

2014

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Implicit solvent effects in the determination of Brønsted-Evans-Polanyi relationships for heterogeneously catalyzed reactions

Physical chemistry chemical physics : PCCP, 2019-08, Vol.21 (32), p.17687-17695

2019

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Mechanism of ionic-liquid-based acidic aqueous biphasic system formation

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (15), p.9838-9846

2018

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Amine functionalized porous silica for CO2/CH4 separation by adsorption: Which amine and why

Control of crystallite and particle size in the synthesis of layered double hydroxides: Macromolecular insights and a complementary modeling tool

Water adsorption on a copper formate paddlewheel model of CuBTC: A comparative MP2 and DFT study

Descriptors controlling the catalytic activity of metallic surfaces toward water splitting

Influence of step sites in the molecular mechanism of the water gas shift reaction catalyzed by copper

Diffusion of quercetin in compressed liquid ethyl acetate and ethanol

Topological analysis of the metal-support interaction: the case of Pd atoms on oxide surfaces

MXenes as promising catalysts for water dissociation

Viral surface glycoproteins, gp120 and gp41, as potential drug targets against HIV-1: Brief overview one quarter of a century past the approval of zidovudine, the first anti-retroviral drug

Unraveling the mechanism of the NO reduction by CO on gold based catalysts

Unravelling the Structure of Chemisorbed CO2 Species in Mesoporous Aminosilicas: A Critical Survey

Universal model for accurate calculation of tracer diffusion coefficients in gas, liquid and supercritical systems

Non-ionic hydrophobic eutectics - versatile solvents for tailored metal separation and valorisation

Structure of Chemisorbed CO2 Species in Amine-Functionalized Mesoporous Silicas Studied by Solid-State NMR and Computer Modeling

The effect of atomic point charges on adsorption isotherms of CO2 and water in metal organic frameworks

The determining role of T species in the catalytic potential of MXenes: Water adsorption and dissociation on Mo2CT

Gas-phase molecular structure and energetics of anionic silicates

Improving the functionality and performance of AA2024 corrosion sensing coatings with nanocontainers

Mechanisms of phase separation in temperature-responsive acidic aqueous biphasic systems

Identifying the presence of subsurface oxygen on the Ti3C2 MXene using H2O as a probe molecule: A DFT study

A Transferable Model for Adsorption in MOFs with Unsaturated Metal Sites

A molecular dynamics framework to explore the structure and dynamics of layered double hydroxides

Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis

Implicit solvent effects in the determination of Brønsted-Evans-Polanyi relationships for heterogeneously catalyzed reactions

Mechanism of ionic-liquid-based acidic aqueous biphasic system formation

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