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Chemistry

Working Paper

Probing the limits of mechanical stability of the mesoporous Metal-Organic Framework DUT-76(Cu) by hydrocarbons physisorption

Kai Konowski, Volodymyr Bon, Martin A. Karlsen, Martin Etter, Nadine Bönisch, Ankita De, Stefan Kaskel

Version 1 posted 06 January 2025

107

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Chemistry

Working Paper

Impact of Surface Hydrophobicity and Salinity on the Adsorption of Humic Acids

Duowei Yuan, Ken Cadien, Qi Liu, Hongbo Zeng

Version 1 posted 03 May 2019

716

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Chemistry

Working Paper

Structure and Dynamics of Water Confined in Imogolite Nanotubes

Laura Scalfi, Guillaume Fraux, Anne Boutin, François-Xavier Coudert

Version 1 posted 21 May 2018

541

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Chemistry

Working Paper

Simulation-Based Evaluation of Zeolite Adsorbents for the Removal of Emerging Contaminants

Michael Fischer

Version 2 posted 27 March 2020

1,143

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Chemistry

Working Paper

Syngas Molecules as Probes for Defects In 2D Hexagonal Boron Nitride: their Adsorption and Vibrations

Tao Jiang, Duy Le, Takat B. Rawal, Talat S. Rahman

Version 1 posted 30 November 2020

330

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Chemistry

Working Paper

General Cluster Sorption Isotherm

Christoph Buttersack

Version 1 posted 06 April 2020

625

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1

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Chemistry

Working Paper

Stability of Adsorbed Water on TiO2-TiN Interfaces. A First Principles and Ab Initio Thermodynamics Investigation.

Michael Nolan, Jose Julio Gutierrez Moreno, Pierre Loverra, Marco Fronzi, Alan O'Riordan

Version 1 posted 26 March 2018

795

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Chemistry

Working Paper

Machine Learning Models Correct Systematic Errors in Alchemical Perturbation Density Functional Theory Applications to Catalysis

Charles D. Griego, Lingyan Zhao, Karthikeyan Saravanan, John Keith

Version 1 posted 07 May 2020

480

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Chemistry

Working Paper

Molecular-Level Understanding of the Influence of Ions and Water on HMGB1 Adsorption Induced by Surface Hydroxylation of Titanium Implants

Dineli T. S. Ranathunga, Alexandra Arteaga, Claudia C. Biguetti, Danieli C. Rodrigues, Steven O. Nielsen

Version 1 posted 29 April 2021

262

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Chemistry

Working Paper

Density Functional Theoretical method for modelling Cobalt-doped g-C3N4 sensor for detecting aniline - a cancer biomarker

Sneha Mohanan K, Dhilshada. V. N, Mausumi Chattopadhyaya

Version 1 posted 25 November 2024

82

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170 results in Adsorption in Keywords: Adsorption

Probing the limits of mechanical stability of the mesoporous Metal-Organic Framework DUT-76(Cu) by hydrocarbons physisorption

Impact of Surface Hydrophobicity and Salinity on the Adsorption of Humic Acids

Structure and Dynamics of Water Confined in Imogolite Nanotubes

Simulation-Based Evaluation of Zeolite Adsorbents for the Removal of Emerging Contaminants

Syngas Molecules as Probes for Defects In 2D Hexagonal Boron Nitride: their Adsorption and Vibrations

General Cluster Sorption Isotherm

Stability of Adsorbed Water on TiO2-TiN Interfaces. A First Principles and Ab Initio Thermodynamics Investigation.

Machine Learning Models Correct Systematic Errors in Alchemical Perturbation Density Functional Theory Applications to Catalysis

Molecular-Level Understanding of the Influence of Ions and Water on HMGB1 Adsorption Induced by Surface Hydroxylation of Titanium Implants

Density Functional Theoretical method for modelling Cobalt-doped g-C3N4 sensor for detecting aniline - a cancer biomarker

170 results in Keywords: Adsorption