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High-throughput screening of metal – Organic frameworks for CO2 and CH4 separation in the presence of water

Asia-Pacific journal of chemical engineering, 2021-01, Vol.403, p.126392, Article 126392

2021

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Benchmarking of GGA density functionals for modeling structures of nanoporous, rigid and flexible MOFs

The Journal of chemical physics, 2018-08, Vol.149 (6), p.064110-064110

2018

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Temperature dependence of the near infrared absorption spectrum of single-wall carbon nanotubes dispersed by sodium dodecyl sulfate in aqueous solution: experiments and molecular dynamics study

Journal of molecular modeling, 2024-08, Vol.30 (8), p.286, Article 286

2024

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Boron-neutron Capture on Activated Carbon for Hydrogen Storage

Scientific reports, 2019-02, Vol.9 (1), p.2971-2971, Article 2971

2019

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Hydrogen Storage in Pure and Boron-Substituted Nanoporous Carbons—Numerical and Experimental Perspective

Nanomaterials (Basel, Switzerland), 2021-08, Vol.11 (9), p.2173

2021

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The reversibility of the adsorption of methane–methyl mercaptan mixtures in nanoporous carbon

Carbon (New York), 2012, Vol.50 (1), p.225-234

2012

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Efficient Modeling of Water Adsorption in MOFs Using Interpolated Transition Matrix Monte Carlo

ACS applied materials & interfaces, 2024-05, Vol.16 (19), p.25559-25567

2024

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Phonons and Adsorption-Induced Deformations in ZIFs: Is It Really a Gate Opening?

Journal of physical chemistry. C, 2021-04, Vol.125 (14), p.7999-8005

2021

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Effect of low frequency phonons on structural properties of ZIFs with SOD topology

Microporous and mesoporous materials, 2020-09, Vol.304, p.109132, Article 109132

2020

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Pore opening and breathing transitions in metal-organic frameworks: Coupling adsorption and deformation

Journal of colloid and interface science, 2020-10, Vol.578, p.77-88

2020

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Advancing biogas purification: A systematic numerical study of MOF performance under humid conditions

Chemical engineering journal (Lausanne, Switzerland : 1996), 2024-04, Vol.486, p.150097, Article 150097

2024

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How dense is the gas adsorbed in nanopores?

Microporous and mesoporous materials, 2020-09, Vol.304, p.109240, Article 109240

2020

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Understanding Universal Adsorption Limits for Hydrogen Storage in Nano Porous Systems

Advanced materials (Weinheim), 2013-11, Vol.25 (41), p.5971-5974

2013

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Helium adsorption in single wall carbon nanotubes—grand canonical Monte Carlo study

Colloids and surfaces. A, Physicochemical and engineering aspects, 2004-07, Vol.241 (1), p.149-154

2004

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Corrigendum to “Pore opening and breathing transitions in metal-organic frameworks: Coupling adsorption and deformation” [J. Colloid Interface Sci. 578 (2020) 77–88]

Journal of colloid and interface science, 2022-04, Vol.611, p.771-771

2022

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Hypothetical High-Surface-Area Carbons with Exceptional Hydrogen Storage Capacities: Open Carbon Frameworks

Journal of the American Chemical Society, 2012-09, Vol.134 (36), p.15130-15137

2012

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Hydrogen storage by adsorption in porous materials: Is it possible?

Colloids and surfaces. A, Physicochemical and engineering aspects, 2016-05, Vol.496 (10), p.69-76

2016

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Quasicontinuous Cooperative Adsorption Mechanism in Crystalline Nanoporous Materials

The journal of physical chemistry letters, 2022-08, Vol.13 (30), p.6961-6965

2022

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Benchmarking of GGA-based density functionals for prediction of structural properties of nanoporous metal-organic frameworks with rigid and flexible structures

The Journal of chemical physics, 2018, Vol.149 (6)

2018

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Strongly Emitting Folic Acid-Derived Carbon Nanodots for One- and Two-Photon Imaging of Lyotropic Myelin Figures

ACS applied materials & interfaces, 2023-07, Vol.15 (27), p.32717-32731

2023

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Intermediate states approach for adsorption studies in flexible metal-organic frameworks

Physical chemistry chemical physics : PCCP, 2019-02, Vol.21 (6), p.3294-3303

2019

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Self-Assembled Two-Dimensional Nanoporous Crystals as MolecularSieves: Molecular Dynamics Studies of 1,3,5-Tristyrilbenzene‑CnSuperstructures

Journal of chemical information and modeling, 2020-03, p.a-m

2020

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Computer modeling of 2D supramolecularnanoporous monolayers self-assembled ongraphite

Nanoscale, 2019-11, Vol.11 (44), p.21284-21290

2019

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Adsorption‐Induced Structural Phase Transformation in Nanopores

Angewandte Chemie International Edition, 2017-12, Vol.56 (51), p.16243-16246

International ed. in English, 2017

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Self-Assembled Two-Dimensional Nanoporous Crystals as Molecular Sieves: Molecular Dynamics Studies of 1,3,5-Tristyrilbenzene‑Cn Superstructures

Journal of chemical information and modeling, 2020-04, Vol.60 (4), p.2155-2168

2020

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High-throughput screening of metal – Organic frameworks for CO2 and CH4 separation in the presence of water

Benchmarking of GGA density functionals for modeling structures of nanoporous, rigid and flexible MOFs

Temperature dependence of the near infrared absorption spectrum of single-wall carbon nanotubes dispersed by sodium dodecyl sulfate in aqueous solution: experiments and molecular dynamics study

Boron-neutron Capture on Activated Carbon for Hydrogen Storage

Hydrogen Storage in Pure and Boron-Substituted Nanoporous Carbons—Numerical and Experimental Perspective

The reversibility of the adsorption of methane–methyl mercaptan mixtures in nanoporous carbon

Efficient Modeling of Water Adsorption in MOFs Using Interpolated Transition Matrix Monte Carlo

Phonons and Adsorption-Induced Deformations in ZIFs: Is It Really a Gate Opening?

Effect of low frequency phonons on structural properties of ZIFs with SOD topology

Pore opening and breathing transitions in metal-organic frameworks: Coupling adsorption and deformation

Advancing biogas purification: A systematic numerical study of MOF performance under humid conditions

How dense is the gas adsorbed in nanopores?

Understanding Universal Adsorption Limits for Hydrogen Storage in Nano Porous Systems

Helium adsorption in single wall carbon nanotubes—grand canonical Monte Carlo study

Corrigendum to “Pore opening and breathing transitions in metal-organic frameworks: Coupling adsorption and deformation” [J. Colloid Interface Sci. 578 (2020) 77–88]

Hypothetical High-Surface-Area Carbons with Exceptional Hydrogen Storage Capacities: Open Carbon Frameworks

Hydrogen storage by adsorption in porous materials: Is it possible?

Quasicontinuous Cooperative Adsorption Mechanism in Crystalline Nanoporous Materials

Benchmarking of GGA-based density functionals for prediction of structural properties of nanoporous metal-organic frameworks with rigid and flexible structures

Strongly Emitting Folic Acid-Derived Carbon Nanodots for One- and Two-Photon Imaging of Lyotropic Myelin Figures

Intermediate states approach for adsorption studies in flexible metal-organic frameworks

Self-Assembled Two-Dimensional Nanoporous Crystals as MolecularSieves: Molecular Dynamics Studies of 1,3,5-Tristyrilbenzene‑CnSuperstructures

Computer modeling of 2D supramolecularnanoporous monolayers self-assembled ongraphite

Adsorption‐Induced Structural Phase Transformation in Nanopores

Self-Assembled Two-Dimensional Nanoporous Crystals as Molecular Sieves: Molecular Dynamics Studies of 1,3,5-Tristyrilbenzene‑Cn Superstructures

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