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List of works by Paweł Kozyra

15-P-13-Properties of Cu2+ and Cu+ cations in MFI framework: DFT and IR studies

scientific article published in 2001

A comparative computational study on hydrogen adsorption on the Ag(+), Cu(+), Mg(2+), Cd(2+), and Zn(2+) cationic sites in zeolites

scientific article published on 19 April 2016

Carbon Dioxide Capture Enhanced by Pre-Adsorption of Water and Methanol in UiO-66

scientific article published on 21 October 2021

Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66

scientific article published on 7 October 2022

Effect of Synthesis Temperature on Water Adsorption in UiO-66 Derivatives: Experiment, DFT+D Modeling, and Monte Carlo Simulations

scientific article published on 18 May 2022

Electronic propensity of Cu(II) versus Cu(I) sites in zeolites to activate NO — Spin- and orbital-resolved Cu–NO electron transfer

scientific article published in July 2013

Extinction coefficients of CC and CC bands in ethyne and ethene molecules interacting with Cu+ and Ag+ in zeolites – IR studies and quantumchemical DFT calculations

scientific article published on 28 September 2014

On the nature of spin- and orbital-resolved Cu+–NO charge transfer in the gas phase and at Cu(I) sites in zeolites

scientific article published on 6 June 2012

Spin-resolved NOCV analysis of the zeolite framework influence on the interaction of NO with Cu(I/II) sites in zeolites

scientific article published on 01 May 2015

Structural Studies of Aluminated form of Zeolites-EXAFS and XRD Experiment, STEM Micrography, and DFT Modelling

scientific article published on 10 June 2021

Toward the Mechanism of o -Xylene Isomerization in Selected Zeolites of Different Si/Al Ratios and Channel Sizes—Experiment Corroborated by Periodic DFT + D Simulations

scientific article published on 5 May 2021

Trojan Horse Thiocyanate: Induction and Control of High Proton Conductivity in CPO-27/MOF-74 Metal-Organic Frameworks by Metal Selection and Solvent-Free Mechanochemical Dosing

scientific article published on 30 June 2021

Water adsorption in ideal and defective UiO-66 structures

scientific article published in January 2022

Why Cu+ in ZSM-5 framework is active in DeNO reaction—quantum chemical calculations and IR studies

scientific article published in July 2002

Zeolites at the Molecular Level: What Can Be Learned from Molecular Modeling

scientific article published on 10 March 2021

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