-
-
-
1960 .
53
–
-
.., ..
-
O=NO—ON=O
NO
: - ,
N2O4, NO, NO2
.., .., .., ..
Se + O2 SeO2
-
: ,
, ,
- ,
.., ..
ScF, ScF2 ScF3
: , ,
, , ,
.., ..
Zn2SiO4
: , ,
MaG., Guo L.
Calculated properties of neutral and charged AlnCom clusters
by the density functional theory
Keywords: AlnCom clusters, density functional theory,
frequency analysis, structural properties
45
41
34
18
7
- 6
1, 2012
-
-
Стр.1
LaViolette R.A., Benson M.T.
Structure and thermodynamics
of phosphorus oxide caged clusters
Keywords: density functional theory, phosphorus oxide clusters, LDA,
GGA
.., .., ..
,
-ß-D-
: -ß-D-,
, -, ,
, , ,
,
Yüksektepe Ç., Çalkan N., Ylmaz I., Çukuroval A.
Molecular and crystal structure, spectroscopic properties
of 2-methyl-4-(3-methyl-3-phenyl-cyclobutyl)-thiazole
determined by the experimental method and a quantum
chemical calculation
Keywords: ab initio calculation, semi-empirical method, B3LYP,
conformational analysis, vibrational assignment,
X-ray structure determination
.., . ., ..,
..
2,2--4,6-(4-)-1,3,2-
: i- ,
2,2--4,6-(4-)-1,3,2-,
, , - J-,
-
.., .., ..
-
–
: ,
, –,
, ,
–
.., ..
-
: - ,
- , ,
, –,
-
98
87
78
68
60
54
Стр.2
-
.., - ..
: , , ,
.., .., -..,
.., ..
(III)
-
3--1,2,4-
: ,
, (III), 3--1,2,4-,
.., .., ..,
..
Co(III) -
: , , , -,
, ,
.., .., ..
- (I)
N--N,N,N',N'-
N,N'--N,N,N',N'-
[{C2H4N2(H+)(CH3)4(C3H5)}Cu4Cl6]
[{C2H4N2(CH3)4(C3H5)2}0,5Cu2Cl1,67Br1,33]
: (I),
N,N,N',N'-,
-, ,
.., .., .., ..
(III)
: , , ,
.., .., .., .,
.
-[Re6S8(CN)2L4],
L 4-
: , ,
, -,
E.., .., .., ..
[CuL](NO3)(ReO4)
[CuL](ReO4)2 (L = 4,6,6--1,9-3,7--3-)
: , , ,
,
142
137
130
124
117
110
105
Стр.3