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6 results in Keywords: Monte Carlo simulation

Theoretical and Computational Chemistry

From Slit Pores to 3D Frameworks: Advances in Molecular Modeling of Adsorption in Nanoporous Carbons

Nicholas Corrente, Alexander Neimark

Version 1 posted 24 December 2024

0

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Analytical Chemistry

Capture Assisted by Buoyancy: Monte Carlo Simulation of Protein Separation

S. Wilkins Taylor, Chuanlei Wang, Jeffrey N. Anker

Version 1 posted 14 August 2024

84

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Physical Chemistry

Quantifying Protein-Protein Interactions in Molecular Simulations

Alfredo Jost Lopez, Patrick K. Quoika, Max Linke, Gerhard Hummer, Juergen Koefinger

Version 1 posted 23 December 2019

964

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Theoretical and Computational Chemistry

Tailoring Parameters for QM/MM Simulations: Accurate Modeling of Adsorption and Catalysis in Zirconium-Based Metal-Organic Frameworks

Yu-Chi Kao, Yi-Ming Wang, Jyun-Yi Yeh, Shih-Cheng Li, Kevin C.-W. Wu, Li-Chiang Lin, Yi-Pei Li

Version 1 posted 05 March 2024

306

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Analytical Chemistry

Uncertainty Quantification of Michaelis-Menten Kinetic Rates and Its Application to the Analysis of CRISPR-Based Diagnostics

Alexandre S. Avaro, Juan G. Santiago

Version 1 posted 12 September 2022

551

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Polymer Science

Precision design for polymethacrylate recycling: a radical ring-opening polymerization approach with systematic degradable thionolactone-centered triads

Bastien Luzel, Ignatii Efimov, Mariya Edeleva, Noémie Gil, Catherine Lefay, Didier Gigmes, Paul Van Steenberge, Dagmar D'hooge, Yohann Guillaneuf

Version 1 posted 17 December 2024

91

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