Year XXVIII, Issue 1, 2019<<Archive>>

Еditoriаl

Еducаtion: Thеory & Prаcticе

Intеrdisciplinаry

Еxpеrimеnts

Problеms

From thе Rеsеаrch Lаborаtoriеs

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SEMI-EMPIRICAL COMPUTATIONAL STUDY OF THE LIGAND AND ITS METAL COMPLEXES DERIVED FROM 4- AMINOANTIPYRINE AND 2, 4-DIHYDROXY BENZOIC ACID

Theoretical molecular structures of the ligand and its Co(II), Ni(II), Cu(II) and Zn(II) complexes have been studied using the semi-empirical quantum chemical methods. The experimental IR, electronic and NMR data of the investigated compounds are compared w...

MEP; natural atomic charge; correlation coefficient; AM1; PM3

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ADVANCES OF PHOTOTHERMAL MICROSCOPY OF COMPOSITE MAGNETOELECTRIC NANOLAYERS USING LASER HETERODYNE PROBE

A theoretical solution advances the potential for photothermal microscopy of nanostructured composite magnetoelectrics and high-temperature superconductors. Photothermal displacement (PTD) is a sensitive effect employed as a fingerprint of the physical and s...

photothermal; laser; heterodyne; magnetoelectric; nanolayer

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CONSIDERATIONS ON DADNE ISOMERS – A DFT TREATMENT

Isomers of diaminodinitroethylene (DADNE) are subjected to quantum chemical treatment within the realm of density functional theory at the level of B3LYP/6-311++G(d,p). Mono anions and cations of them are also considered (UB3LYP/6-311++G(d,p)). The possibil...

DADNE; FOX-7; DADE; Explosives; DFT calculations; isomers; ions

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6,6’,8,8’-TETRAMETYL-4,4’,7.7’-TETRAHYDROS-7,7’BI-1,2,4,5-TETRAZOCINE-3,3’(2H,2’H)-DITHIONE, A NOVEL HYDRAZONE SCHIFF BASE WITH PROMISING PHARMACOLOGICAL EFFECTS

Novel hydrazone Schiff base viz. 6,6’,8,8’-tetramethyl-4,4’,7,7’tetrahydro-7,7’-bi-1,2,4,5-tetrazocine-3,3’(2H,2’H)-dithionehas been synthesized from3,4-diacetylhexane-2,5-dione and thiocarbohydrazideandcharacterized. The bicyclichydrazone Schiff basehas bee...

3,4-diacetylhexane-2,5-dione; thiocarbohydrazide; antimicrobial activities; anti-angiogenesis; DNA-cleavage and anti-proliferation