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Leszczynski, Jerzy

One or more keywords matched the following items that are connected to Leszczynski, Jerzy

Item Type	Name
Academic Article	Formation and hydrogen release of hydrazine bisborane: transfer vs. attachment of a borane.
Academic Article	Long-range corrected DFT calculations of charge-transfer integrals in model metal-free phthalocyanine complexes.
Academic Article	The interactions of square platinum(II) complexes with guanine and adenine: a quantum-chemical ab initio study of metalated tautomeric forms.
Academic Article	Nucleic acid bases in anionic 2'-deoxyribonucleotides: a DFT/B3LYP study of structures, relative stability, and proton affinities.
Academic Article	Methyl-triclosan binding to human serum albumin: multi-spectroscopic study and visualized molecular simulation.
Academic Article	Modeling the intermolecular interactions: molecular structure of N-3-hydroxyphenyl-4-methoxybenzamide.
Academic Article	Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: an ab initio study.
Academic Article	Molecular structure and vibrational raman and infrared spectra of bromochlorofluoromethane and its silicon and germanium analogs: quantum-mechanical DFT and MP2 calculations.
Academic Article	Covalent chemistry and conformational dynamics of topologically chiral amide-based molecular knots.
Academic Article	Charges of phosphate groups. A role in stabilization of 2'-deoxyribonucleotides. A DFT investigation.
Academic Article	Hydration process as an activation of trans- and cisplatin complexes in anticancer treatment. DFT and ab initio computational study of thermodynamic and kinetic parameters.
Academic Article	Hydrogen-bonding interactions in the binding of loop 1 of fasciculin 2 to Torpedo californica acetylcholinesterase: a density functional theory study.
Academic Article	Thermodynamics and kinetics of intramolecular proton transfer in Guanine. Post Hartree-Fock study.
Academic Article	CL-20 photodecomposition: ab initio foundations for identification of products.
Academic Article	Comprehensive study on the solvation of mono- and divalent metal cations: Li+, Na+, K+, Be2+, Mg2+ and Ca2+.
Academic Article	Valence anion of thymine in the DNA pi-stack.
Academic Article	Valence anions of 9-methylguanine-1-methylcytosine complexes. Computational and photoelectron spectroscopy studies.
Academic Article	Theoretical investigation of electronic structures and properties of C60-gold nanocontacts.
Academic Article	Effect of a pH change on the conformational stability of the modified nucleotide queuosine monophosphate.
Academic Article	Molecular recognition at methyl methacrylate/n-butyl acrylate (MMA/nBA) monomer unit boundaries of phospholipids at p-MMA/nBA copolymer surfaces.
Concept	Molecular Conformation

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Molecular Conformation

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