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Leszczynski, Jerzy
One or more keywords matched the following items that are connected to Leszczynski, Jerzy
Item TypeName
Academic Article Comprehensive analysis of DNA strand breaks at the guanosine site induced by low-energy electron attachment.
Academic Article Implicit electrostatic solvent model with continuous dielectric permittivity function.
Academic Article Adsorption of thymine and uracil on 1:1 clay mineral surfaces: comprehensive ab initio study on influence of sodium cation and water.
Academic Article Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs.
Academic Article Exploring a reaction mechanism for acetato ligand replacement in paddlewheel tetrakisacetatodirhodium (II,II) complex by ammonia: computational density functional theory study.
Academic Article Theoretical study of formamide decomposition pathways.
Academic Article The evolution of bonding and thermodynamic properties of boron-doped small carbon clusters: an ab initio study.
Academic Article Activation of the cisplatin and transplatin complexes in solution with constant pH and concentration of chloride anions; quantum chemical study.
Academic Article Hydrazine bisalane is a potential compound for chemical hydrogen storage. A theoretical study.
Academic Article Validation of a novel secretion modification region (SMR) of HIV-1 Nef using cohort sequence analysis and molecular modeling.
Academic Article Predictions of Gibbs free energies for the adsorption of polyaromatic and nitroaromatic environmental contaminants on carbonaceous materials: efficient computational approach.
Academic Article Computational study on C-H...p interactions of acetylene with benzene, 1,3,5-trifluorobenzene and coronene.
Academic Article Nucleic acid bases in anionic 2'-deoxyribonucleotides: a DFT/B3LYP study of structures, relative stability, and proton affinities.
Academic Article Theoretical study of the decomposition of formamide in the presence of water molecules.
Academic Article Electron-induced degradation of 8-bromo-2'-deoxyadenosine 3',5'-diphosphate, a DNA radiosensitizing nucleotide.
Academic Article Theoretical studies on interactions between low energy electrons and protein-DNA fragments: valence anions of AT-amino acids side chain complexes.
Academic Article DFT M06-2X investigation of alkaline hydrolysis of nitroaromatic compounds.
Academic Article From formamide to purine: an energetically viable mechanistic reaction pathway.
Academic Article Methyl-triclosan binding to human serum albumin: multi-spectroscopic study and visualized molecular simulation.
Academic Article Homodimers of cytosine and 1-methylcytosine. A DFT study of geometry, relative stability and H-NMR shifts in gas-phase and selected solvents.
Academic Article Electron induced single strand break and cyclization: a DFT study on the radiosensitization mechanism of the nucleotide of 8-bromoguanine.
Academic Article Modeling the intermolecular interactions: molecular structure of N-3-hydroxyphenyl-4-methoxybenzamide.
Academic Article Experimental and theoretical studies on halide binding with a p-xylyl-based azamacrocycle.
Academic Article Alkaline hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine: M06-2X investigation.
Academic Article Exploring Relative Thermodynamic Stabilities of Formic Acid and Formamide Dimers - Role of Low-Frequency Hydrogen-Bond Vibrations.
Academic Article A DFT-based QSAR study on inhibition of human dihydrofolate reductase.
Academic Article Theoretical investigation of the molecular structure of the pi kappa DNA base pair.
Academic Article Tautomeric equilibria in 8-oxopurines: implications for mutagenicity.
Academic Article An ab initio theoretical study of the stereoisomers of tetrahydrocannabinols.
Academic Article Theoretical ab initio study of the effects of methylation on structure and stability of G:C Watson-Crick base pair.
Academic Article Molecular structure and properties of protonated and methylated derivatives of cytosine.
Academic Article TDDFT investigation on nucleic acid bases: comparison with experiments and standard approach.
Academic Article Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: an ab initio study.
Academic Article Double-proton transfer in adenine-thymine and guanine-cytosine base pairs. A post-Hartree-Fock ab initio study.
Academic Article Conformational analysis of canonical 2-deoxyribonucleotides. 2. Purine nucleotides.
Academic Article A quantum-dynamics study of the prototropic tautomerism of guanine and its contribution to spontaneous point mutations in Escherichia coli.
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 Electron density distribution in stacked benzene dimers: a new approach towards the estimation of stacking interaction energies.
Academic Article Theoretical model of the aqua-copper [Cu(H2O)5]+ cation interactions with guanine.
Academic Article Thermodynamic properties of germanium/carbon microclusters.
Academic Article Physical nature of interactions within the active site of cytosine-5-methyltransferase.
Academic Article Cooperativity in hydrogen-bonded interactions: ab initio and "atoms in molecules" analyses.
Academic Article Mass spectrometric and quantum chemical studies of the thermodynamics and bonding of neutral and ionized LnCl, LnCl2, and LnCl3 species (Ln = Ce, Lu).
Academic Article Mechanism of action of anticancer titanocene derivatives: an insight from quantum chemical calculations.
Academic Article Findings on the electron-attachment-induced abasic site in a DNA double helix.
Academic Article H-bonding patterns in the platinated guanine-cytosine base pair and guanine-cytosine-guanine-cytosine base tetrad: an electron density deformation analysis and AIM study.
Academic Article Origins of the activity of PAL and LAP enzyme inhibitors: toward ab initio binding affinity prediction.
Academic Article DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides.
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 Theoretical thermodynamics and the nature of interactions of the quasi-binary NaCl-SnCl(2) system.
Academic Article Oxime-induced reactivation of sarin-inhibited AChE: a theoretical mechanisms study.
Academic Article Thermodynamic studies of bromine-iodine competition in the formation of NaSnXYZ (X, Y, Z, = Br or I) complexes.
Academic Article Theoretical studies on the mechanism of C-P bond cleavage of a model alpha-aminophosphonate in acidic condition.
Academic Article Thermodynamics and kinetics of intramolecular water assisted proton transfer in Na+ -1-methylcytosine water complexes.
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 study of mechanism of 2,3-dihydro-1,5-benzodiazepin-2-ones hydrazinolysis.
Academic Article Ab initio kinetic simulation of gas-phase experiments: tautomerization of cytosine and guanine.
Academic Article Base-base and deoxyribose-base stacking interactions in B-DNA and Z-DNA: a quantum-chemical study.
Academic Article Effect of a pH change on the conformational stability of the modified nucleotide queuosine monophosphate.
Academic Article Leading RNA tertiary interactions: structures, energies, and water insertion of A-minor and P-interactions. A quantum chemical view.
Academic Article Intriguing relations of interaction energy components in stacked nucleic acids.
Academic Article Theoretical elucidation of conflicting experimental data on vertical ionization potentials of microhydrated thymine.
Academic Article Theoretical studies on the bonding and thermodynamic properties of Ge n Si m (m+n=5) clusters: the precursors of germanium/silicon nanomaterials.
Academic Article Gas-phase mechanisms of degradation of hazardous organophosphorus compounds: do they follow a common pattern of alkaline hydrolysis reaction as in phosphotriesterase?
Concept Thermodynamics
Academic Article Photochemical syn-anti isomerization reactions in N2-hydroxyisocytosines--an experimental matrix isolation and theoretical study.
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