- -
1960 .
60
-
-
.., ..
Ca(N3)2 Sr(N3)2
: ,
, , ,
,
.., ..
GelSimCn
: GeSiC2, , GeSi2C,
, Ge2SiC,
Soleymani M.
Theoretical study of the possibility of functionalization
of C20 fullerene with simplest ketene CH2CO
Keywords: C20 fullerene, ketene, polar transition state,
functionalization, GEDT, synchronicity
Zeyrek C.T., Hayvali Z., Ünver H., Elmali A.
Crystal structure, DFT and molecular docking studies
of tris[N-(2-furylmethyl)-3-methoxy
salicylidenaminato]cobalt(III)
Keywords: crystal structure, cobalt(III) complex,
density functional theory, molecular docking, DNA
Ghobadi H., Ghiasi R., Jamehbozorgi S.
Effect of the external electric field
on the electronic structure and aromaticity of iridabenzene:
A DFT study
Keywords: iridabenzene complex, electric field effect,
nucleus independent chemical shift (NICS)
572
561
550
544
535
- 12
4, 2019
2019
Стр.2
Nawaz S., Zierkiewicz W., Michalczyk M., Ghaffar A.,
Jabeen F., Ahmad S.
581
DFT analysis of copper(II) complexes
of cis-1,2-diaminocyclohexane (Dach),
[Cu(Dach)2(N3)]Cl.3H2O
and [Cu(Dach)2-Ag(CN)2-Cu(Dach)2][Ag(CN)2]3
Keywords: copper(II), cis-1,2-diaminocyclohexane, azide,
dicyanidoargentate(I), DFT calculations
Yang L., Li D., Guo B., Wei D.
Theoretical study on inclusion interaction of -cyclodextrin
with gabapentin and its stability
Keywords: density functional theory, gabapentin, -cyclodextrin,
inclusion complex, energy barrier, stabilization
600
.., ..
: , , , -,
,
-.., .., .., ..
: , ,
, ,
-
.., .., ..
M3H(SO4)2 (M=K, NH4)
: M3H(SO4)2,
, «» SO4,
–,
.., .., ..,
.., ..
,
: , , ,
, ,
,
Artem’ev A.V., Rakhmanova M.I., Samsonenko D.G.
CuI–based coordination polymer
assembled from a 2-pyridyl sulfide ligand:
Synthesis and luminescent properties
Keywords: copper(I), coordination polymers, pyridine ligands,
thioethers, luminescence, crystal structure
644
636
629
609
589
Стр.3
.., .., ..
,
(NMe2H2)9[(AsW9O33)2(NbO)3(2)]·44H2O
: , , ,
.., .., .., ..,
.., ..
(III) -
: ,
, (III), ,
,
.., .., .., ..,
.., .., ..
- (III)
: , , ,
, , -,
-
.., .., ..
Na9[SbW9O33]
c (IV)
: , ,
.., .., ..,
.., ..
(1S,2R)-1-{2-[(1S)-1-()]}1,2--1,2-
: , ,
, , ,
- ,
Ramazani A., Ahankar H., lepokura K., Lis T., Joo S.W.
Single crystal X-ray structure analysis of two polymorphs
of ethyl 2-(2-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2,5dihydro-1H-pyrrole-3-carboxylate
Keywords:
single crystal, X-ray analysis, pyrrolidinone derivative,
polymorphs
Zhang L., Xu L., Li J.
First principles study on structurally resolved titanium
dioxide nanoparticles functionalized by organic ligands
Keywords: solar cell, polyoxotitanate, charge trap
—
© , 2019
©
. .. , 2019
©
, 2019
697
688
680
673
666
656
649
Стр.4