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1.596  Articles
1 of 161 pages  |  10  records  |  more records»
The phototoxic drugs (S) (aloe-emodin (1), emodin (2), and rhein (3)) were studied with the parametric method CATIVIC in order to find correlations between calculated theoretical properties and the experimental photodegradation rate. These correlations ca... see more

Theoretical research of voltage emissions has been conducted for the collector of electric locomotive DE1. The comparative results of theoretical and experimental calculations have been provided.

The article is devoted to the problem of creating a representative sample of respondents in the course of experimental and broad psycholinguistic research, first of all, its quantitative composition and structure. The primary method of research was the ps... see more

The creation of computer programs for virtual screening is an urgent task for modern pharmacology and medicine. The article shows some experimental and theoretical approaches to the creation of a computer program for virtual screening of scavengers NO in ... see more

In the present work, the free base, cationic and hydrochloride species of the anti-histaminic diphenhydramine drug were theoretically studied by using the hybrid B3LYP/6-311++G** calculations in the gas phase and the experimental available infrared and Ra... see more

The creation of computer programs for virtual screening is an urgent task for modern pharmacology and medicine. The article shows some experimental and theoretical approaches to the creation of a computer program for virtual screening of scavengers NO in ... see more

Theoretical investigations of the conformational properties and 1H NMR chemical shifts for N-methyl-4-tolyl-1-(4-bromonaphthyl)amine and N-phenyl-1-(4-bromonaphthyl)amine are reported. The calculations were performed at the DFT level (PBE1PBE functional) ... see more

The creation of computer programs for virtual screening is an urgent task for modern pharmacology and medicine. The article shows some experimental and theoretical approaches to the creation of a computer program for virtual screening of scavengers NO in ... see more

The IR spectrum of polyimide films produced on the basis of Hydroxy-4, 4-dianiline and lacquer ABimida was measured. The carried out quantum-chemical calculations of the spectra within the Hartree-Fock approximation MDDP PM3 on the model material (a copol... see more

1 of 161 pages  |  10  records  |  more records»