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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 InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance.
Academic Article Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues.
Academic Article The electronic spectra of the sandwich stacked PFBT: a theoretical study.
Academic Article Theoretical study of formamide decomposition pathways.
Academic Article Theoretical study of the surface properties of poly(dimethylsiloxane) and poly(tetrafluoroethylene).
Academic Article Hydrazine bisalane is a potential compound for chemical hydrogen storage. A theoretical study.
Academic Article Theoretical study of the decomposition of formamide in the presence of water molecules.
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 Theoretical study of ionization and one-electron oxidation potentials of N-heterocyclic compounds.
Academic Article Optimal descriptor as a translator of eclectic information into the prediction of membrane damage: the case of a group of ZnO and TiO2 nanoparticles.
Academic Article Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides.
Academic Article Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions.
Academic Article Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across.
Academic Article Experimental and theoretical studies on halide binding with a p-xylyl-based azamacrocycle.
Academic Article In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study.
Academic Article Correction to "Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study".
Academic Article Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions.
Academic Article Adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study.
Academic Article Experimental and computational study of membrane affinity for selected energetic compounds.
Academic Article Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study.
Academic Article Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential.
Academic Article Impact of Pharmaceuticals on the Environment: Risk Assessment Using QSAR Modeling Approach.
Academic Article Theoretical study of formate, tartrate, tartronate, and glycolate production from 6-carbon trioxylate intermediate in the citric acid cycle.
Academic Article "Ideal correlations" for biological activity of peptides.
Academic Article Evaluating genotoxicity of metal oxide nanoparticles: Application of advanced supervised and unsupervised machine learning techniques.
Academic Article N-arylnaphthylamines as inhibitors of human immunodeficiency virus integrase - lens epithelium-derived growth factor interactions: theoretical studies.
Academic Article An ab initio theoretical study of the stereoisomers of tetrahydrocannabinols.
Academic Article Theoretical Ab initio study of the effects of methylation on the nature of hydrogen bonding in A:T base pair.
Academic Article Spectroscopic characteristics of the micro-environmentally induced H-bond transformation in anil-type species: experimental and theoretical study.
Academic Article Theoretical model of the aqua-copper [Cu(H2O)5]+ cation interactions with guanine.
Academic Article Ionization energies of argon clusters: a combined experimental and theoretical study.
Academic Article Theoretical study of interaction of urate with li(+), na(+), k(+), be(2+), mg(2+), and ca(2+) metal cations.
Academic Article Theoretical studies of symmetric five-membered heterocycle derivatives of carbazole and fluorene: precursors of conducting polymers.
Academic Article Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactions.
Academic Article Heterocyclic analogues of cyclohexene: theoretical studies of the molecular structures and ring-inversion processes.
Academic Article Prediction of CL-20 chemical degradation pathways, theoretical and experimental evidence for dependence on competing modes of reaction.
Academic Article Rare tautomer hypothesis supported by theoretical studies: ab initio investigations of prototropic tautomerism in the N-methyl-p base.
Academic Article The dimerization of SnCl2(g): mass spectrometric and theoretical studies.
Academic Article How short can the H...H intermolecular contact be? New findings that reveal the covalent nature of extremely strong interactions.
Academic Article Excited state proton transfer in guanine in the gas phase and in water solution: a theoretical study.
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 Effect of hydration on the lowest singlet PiPi* excited-state geometry of guanine: a theoretical study.
Academic Article Toward a reversible isolation of a C20 fullerene inside a tetraureacalix[4]arene dimer. A theoretical study.
Academic Article Theoretical study of adsorption of sarin and soman on tetrahedral edge clay mineral fragments.
Academic Article Oxime-induced reactivation of sarin-inhibited AChE: a theoretical mechanisms study.
Academic Article Theoretical studies on the mechanism of C-P bond cleavage of a model alpha-aminophosphonate in acidic condition.
Academic Article Theoretical study of hydrated copper(II) interactions with guanine: a computational density functional theory study.
Academic Article Theoretical modeling study for the phosphonylation mechanisms of the catalytic triad of acetylcholinesterase by sarin.
Academic Article Theoretical study on the factors controlling the stability of the borate complexes of ribose, arabinose, lyxose, and xylose.
Academic Article Theoretical study of the kinetics and mechanism of the decomposition of trifluoromethanol, trichloromethanol, and tribromomethanol in the gas phase.
Academic Article Theoretical study of mechanism of 2,3-dihydro-1,5-benzodiazepin-2-ones hydrazinolysis.
Academic Article Effect of stacking interactions on the spectra of the monomer of PFBT: a theoretical study.
Academic Article Systematic effect of benzo-annelation on oxo-hydroxy tautomerism of heterocyclic compounds. Experimental matrix-isolation and theoretical study.
Academic Article Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related species.
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.
Concept Models, Theoretical
Academic Article Photochemical syn-anti isomerization reactions in N2-hydroxyisocytosines--an experimental matrix isolation and theoretical study.
Academic Article The Canadian Journal of Chemical Engineering
Academic Article Computational and Theoretical Chemistry
Academic Article Using quasi-SMILES for the predictive modeling of the safety of 574 metal oxide nanoparticles measured in different experimental conditions.
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  • Models Theoretical
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