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An amine decorated MOF for direct capture of CO2 from ambient air

Dalton transactions : an international journal of inorganic chemistry, 2023-08, Vol.52 (33), p.11621-11630

2023

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Does supercooled water retain its universal nucleation behavior under shear at high pressure?

Physical chemistry chemical physics : PCCP, 2023-08, Vol.25 (32), p.21528-21537

2023

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Insights into the Phase Diagram of Pluronic L64 Using Coarse-Grained Molecular Dynamics Simulations

The journal of physical chemistry. B, 2022-06, Vol.126 (25), p.4731-4744

2022

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Evaporation induced self-assembly of different shapes and sizes of nanoparticles: A molecular dynamics study

The Journal of chemical physics, 2019-01, Vol.150 (4), p.044708-044708

2019

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Homogeneous nucleation of sheared liquids: advances and insights from simulations and theory

Physical chemistry chemical physics : PCCP, 2021-07, Vol.23 (29), p.1542-15419

2021

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Removal of Heavy Metal Ions Using a Functionalized Single-Walled Carbon Nanotube: A Molecular Dynamics Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-07, Vol.119 (30), p.8349-8358

2015

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An amine decorated MOF for direct capture of CO 2 from ambient air

Dalton transactions : an international journal of inorganic chemistry, 2023-08, Vol.52 (33), p.11621-11630

2023

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Molecular simulation of shale gas adsorption and diffusion in inorganic nanopores

Molecular simulation, 2015-04, Vol.41 (5-6), p.414-422

2015

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A hybrid topological and shape-matching approach for structure analysis

The Journal of chemical physics, 2021-04, Vol.154 (15), p.154502-154502

2021

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Effect of Different Surfactants on the Interfacial Behavior of the n‑Hexane–Water System in the Presence of Silica Nanoparticles

The journal of physical chemistry. B, 2016-07, Vol.120 (29), p.7265-7274

2016

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Wetting transition of nanodroplets of water on textured surfaces: a molecular dynamics study

Molecular simulation, 2014-05, Vol.40 (6), p.458-468

2014

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Understanding the role of polymers on the nucleating behavior of water in dilute supercooled solutions

The Journal of chemical physics, 2023-07, Vol.159 (4)

2023

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Effects of interfaces on structure and dynamics of water droplets on a graphene surface: A molecular dynamics study

The Journal of chemical physics, 2021-04, Vol.154 (16), p.164704-164704

2021

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A general topological network criterion for exploring the structure of icy nanoribbons and monolayers

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (7), p.38-388

2020

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A coarse-grain molecular dynamics study of oil–water interfaces in the presence of silica nanoparticles and nonionic surfactants

The Journal of chemical physics, 2017-05, Vol.146 (20), p.204702-204702

2017

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Universal Nucleation Behavior of Sheared Systems

Physical review letters, 2021-05, Vol.126 (19), p.1-195702, Article 195702

2021

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Design expert based optimization of the pyrolysis process for the production of cattle dung bio-oil and properties characterization

Scientific reports, 2024-04, Vol.14 (1), p.9421-9421, Article 9421

2024

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Removal of heavy metal ions using functionalized graphene membranes: a molecular dynamics study

RSC advances, 2016-01, Vol.6 (68), p.6319-63199

2016

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Seeding method for ice nucleation under shear

The Journal of chemical physics, 2020-09, Vol.153 (9), p.094502-094502

2020

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Mechanistic insights for electrochemical reduction of CO2 into hydrocarbon fuels over O-terminated MXenes

Catalysis science & technology, 2022-04, Vol.12 (7), p.2223-2231

2022

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Effect of Ionic Liquid Impregnation in Highly Water-Stable Metal–Organic Frameworks, Covalent Organic Frameworks, and Carbon-Based Adsorbents for Post-combustion Flue Gas Treatment

Energy & fuels, 2019-04, Vol.33 (4), p.3421-3428

2019

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A grand canonical Monte Carlo study of SO2 capture using functionalized bilayer graphene nanoribbons

The Journal of chemical physics, 2017-01, Vol.146 (4), p.044704-044704

2017

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The effect of ionisation of silica nanoparticles on their binding to nonionic surfactants in oil-water system: an atomistic molecular dynamic study

Molecular physics, 2018-08, Vol.116 (15-16), p.2022-2031

2018

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Interfacial behavior of nonionic Tween 20 surfactant at oil-water interfaces in the presence of different types of nanoparticles

RSC advances, 2016-01, Vol.6 (114), p.11337-113314

2016

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Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: dispersion vs. agglomeration

The Journal of chemical physics, 2013-04, Vol.138 (14), p.144901-144901

2013

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An amine decorated MOF for direct capture of CO2 from ambient air

Does supercooled water retain its universal nucleation behavior under shear at high pressure?

Insights into the Phase Diagram of Pluronic L64 Using Coarse-Grained Molecular Dynamics Simulations

Evaporation induced self-assembly of different shapes and sizes of nanoparticles: A molecular dynamics study

Homogeneous nucleation of sheared liquids: advances and insights from simulations and theory

Removal of Heavy Metal Ions Using a Functionalized Single-Walled Carbon Nanotube: A Molecular Dynamics Study

An amine decorated MOF for direct capture of CO 2 from ambient air

Molecular simulation of shale gas adsorption and diffusion in inorganic nanopores

A hybrid topological and shape-matching approach for structure analysis

Effect of Different Surfactants on the Interfacial Behavior of the n‑Hexane–Water System in the Presence of Silica Nanoparticles

Wetting transition of nanodroplets of water on textured surfaces: a molecular dynamics study

Understanding the role of polymers on the nucleating behavior of water in dilute supercooled solutions

Effects of interfaces on structure and dynamics of water droplets on a graphene surface: A molecular dynamics study

A general topological network criterion for exploring the structure of icy nanoribbons and monolayers

A coarse-grain molecular dynamics study of oil–water interfaces in the presence of silica nanoparticles and nonionic surfactants

Universal Nucleation Behavior of Sheared Systems

Design expert based optimization of the pyrolysis process for the production of cattle dung bio-oil and properties characterization

Removal of heavy metal ions using functionalized graphene membranes: a molecular dynamics study

Seeding method for ice nucleation under shear

Mechanistic insights for electrochemical reduction of CO2 into hydrocarbon fuels over O-terminated MXenes

Effect of Ionic Liquid Impregnation in Highly Water-Stable Metal–Organic Frameworks, Covalent Organic Frameworks, and Carbon-Based Adsorbents for Post-combustion Flue Gas Treatment

A grand canonical Monte Carlo study of SO2 capture using functionalized bilayer graphene nanoribbons

The effect of ionisation of silica nanoparticles on their binding to nonionic surfactants in oil-water system: an atomistic molecular dynamic study

Interfacial behavior of nonionic Tween 20 surfactant at oil-water interfaces in the presence of different types of nanoparticles

Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: dispersion vs. agglomeration

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