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5 results in Authors: Alexander V. Neimark

Theoretical and Computational Chemistry

Understanding the Origins of Reversible and Hysteretic Pathways of Adsorption Phase Transitions by Mesocanonical Ensemble Monte Carlo Simulations

Shivam Parashar, Alexander V. Neimark

Version 1 posted 26 December 2023

208

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Quasi-continuous cooperative adsorption mechanism in crystalline nanoporous materials

Bartosz Mazur, Filip Formalik, Kornel Roztocki, Volodymyr Bon, Stefan Kaskel, Alexander V. Neimark, Lucyna Firlej, Bogdan Kuchta

Version 1 posted 06 June 2022

263

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Chemical Engineering and Industrial Chemistry

Deformation of Nanoporous Carbons Induced By Multicomponent Adsorption: Insight from the SAFT-DFT Model

Nicholas J. Corrente, Elizabeth L. Hinks, Aastha Kasera, Alexander V. Neimark

Version 1 posted 22 December 2023

179

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Theoretical and Computational Chemistry

Pore Structure Compartmentalization for Advanced Characterization of Metal-Organic Framework Materials

Shivam Parashar, Alexander V. Neimark

Version 2 posted 22 November 2023

356

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Theoretical and Computational Chemistry

Unveiling Non-Monotonic Deformation of Flexible MOFs during Gas Adsorption: From Contraction and Softening to Expansion and Hardening

Shivam Parashar, Nicholas J. Corrente, Alexander V. Neimark

Version 2 posted 25 October 2024

310

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