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Physical Chemistry Chemical Physics : PCCP|January 14, 2016
Ammonia-modified Co(II) sites in zeolites: spin and electron density redistribution through the Co(II)-NO bondAdam Stępniewski, Mariusz Radoń, Kinga Góra-Marek, et al.Physical Chemistry Chemical Physics : PCCP|September 24, 2014
Ammonia-modified Co(II) sites in zeolites: IR spectroscopy and spin-resolved charge transfer analysis of NO adsorption complexesKinga Góra-Marek, Adam Stępniewski, Mariusz Radoń, et al.Molecules (Basel, Switzerland)|April 3, 2021
Zeolites at the Molecular Level: What Can Be Learned from Molecular ModelingEwa Broclawik, Paweł Kozyra, Mariusz Mitoraj, et al.Biochemistry|November 7, 2012
Mechanism of benzylic hydroxylation by 4-hydroxymandelate synthase. A computational studyAnna Wójcik, Ewa Broclawik, Per E M Siegbahn, et al.Journal of Computational Chemistry|March 8, 2006
Epimerization and desaturation by carbapenem synthase (CarC). A hybrid DFT studyTomasz Borowski, Ewa Broclawik, Christopher J Schofield, et al.Inorganic Chemistry|August 31, 2010
Torsionally controlled electronic coupling in mixed-valence oxodimolybdenum nitrosyl scorpionates--a DFT studyPiotr P Romańczyk, Klemens Noga, Andrzej J Włodarczyk, et al.Biochemistry|February 28, 2007
Mechanism for cyclization reaction by clavaminic acid synthase. Insights from modeling studiesTomasz Borowski, Sven de Marothy, Ewa Broclawik, et al.Journal of the American Chemical Society|August 27, 2014
Role of substrate positioning in the catalytic reaction of 4-hydroxyphenylpyruvate dioxygenase-A QM/MM StudyAnna Wójcik, Ewa Broclawik, Per E M Siegbahn, et al.The Journal of Physical Chemistry. B|September 8, 2006
First-principles study on proton dissociation properties of fluorocarbon- and hydrocarbon-based membranes in low humidity conditionsMichihisa Koyama, Kazunori Bada, Kenji Sasaki, et al.Computational Biology and Chemistry|June 27, 2006
Molecular dynamics study on the ligand recognition by tandem SH3 domains of p47phox, regulating NADPH oxidase activityYoko Watanabe, Hideyuki Tsuboi, Michihisa Koyama, et al.Pageof 3