-
-
-
-
1960 .
54
-
-
..
-
: ,
, -,
Kara Mohamed W., Mezrag F., Boucenna M., Bouarissa N.
Electronic structure and related properties
for quasi-binary (GaP)1 – x(ZnSe)x crystals
Keywords: electronic structure, optical properties, quasi-crystals,
pseudopotentials
Tojiboev A., Wang R., Pan F., Englert U., Turgunov K.,
Okmanov R.
Insight into chemical bonding and electrostatic
potential: a charge density study on a quinazoline
derivative
Keywords: quinazoline, electronic structure,
high-resolution X-ray diffraction, charge density,
topological analysis, dipole moment
.., .., ..
,
: , , , ,
,
,
.., ..
–•••N
1,1--2,2-
b initio QTAIM
:
–•••N, ab initio, QTAIM, RDG
-
-
2013
997
986
980
972
965
- 6
6, 2013
Стр.1
.., .., ..,
.., .., .-.
Pt–Sn
: ,
,
, - ,
,
Kean G., Alver Ö., Bilge M., Parlak C.
DFT, FT-Raman and FT-IR investigations
of 1-cyclopropylpiperazine
Keywords: 1-cyclopropylpiperazine, vibrational spectra, PED,
DFT, B3LYP
Beyramabadi S.A., Eshtiagh-Hosseini H.,
Housaindokht M.R., Shirzadi S., Morsali A., Naseri M.A.
Experimental and theoretical characterization
of N,N-bis(2,4-dihydroxybenzylidene)1,2-diaminobenzene
Schiff base and its Cu(II) complex
Keywords: Schiff base, copper, IR assignment, NMR, DFT,
resorcinol
Eshtiagh-Hosseini H., Beyramabadi S.A., Mirzaei M.,
Morsali A., Salimi A.R., Naseri M.A.
3,3'-Dihydroxy-4,4'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]-bis-phenol
Schiff base and its
Mn(II) complex: synthesis, experimental and theoretical
characterization
Keywords: Schiff base, salen, Mn, DFT, IR assignment, NMR,
cyclohexanediyl
-
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Tl+
: ,
,
,
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.., ..
[(NH3)5Cl]WO4 ( = r, Rh).
, ,
: , , , ,
, ,
1046
1039
1032
1024
1013
1003
Стр.2
.., .., ..,
..
- (IV):
(CH3)3Pt(btfa)H2O, (CH3)3Pt(bac)Py
[(CH3)3PtI]4
: - (IV),
, , ,
. ., .., ..,
..
3,6-(3,5--1-)-1,2,4,5-
: ,
, ,
3,6-(3,5--1-)-1,2,4,5-,
-
.., .., ..
«» -N,N--3
: N,N----,
-N,N--3- , ,
, ,
Zhu X., Xiang D.-S., Shi W.-Y.
Crystal structures of methyl and benzyl 5-ferrocenyl-3,5dimethyl-2-pyrazoline-1-dithiocarboxylate
Keywords:
pyrazoline, ferrocenyl, dithiocarboxylate, X-ray
-
Fernandes W.B., Malaspina L.A., Martins F.T., Lião L.M.,
Camargo A.J., Lariucci C., Noda-Perez C., Napolitano H.B.
Conformational variability in a new terpenoid-like
bischalcone: structure and theoretical studies
Keywords: terpenoid-like bischalcone, X-ray diffraction,
disorder modeling
Jlassi R., Rekik W., Naïli H., Mhiri T., Bataille T.
Crystal architecture and thermal decomposition
of two new organically templated cadmium sulfates
Keywords: hybrid material, slow evaporation, X-ray diffraction,
crystal structure, thermal decomposition, supramolecular
1092
1082
1077
1071
1060
1052
Стр.3