1960 .
50
–
..
-
Si-O-Si
: ,
,
..
.
II.
: , ,
, ,
, QSPR
Zhou Z.-Y., Shan G.-G., Zhu Y.-L., Yu X.-J., Dong Y.-H.,
Zhao J.-Y.
Theoretical studies on excited state proton transfer
tautomerism reaction and spectroscopic properties
of 8-hydroxyquinoline monomers and dimers
Keywords: 8-hydroxyquinoline, proton transfer, excited state,
spectroscopy
.., .., ..
-
,
M(II)–
– (M= Co, Ni, Cu)
: , ,
B3LYP
.., .., ..,
.., .., ..,
..
H8(PW11TiO39)2O
: , ,
648
643
636
629
623
6
4, 2009
Стр.1
Thangamani A., Jayabharathi J., Manimekalai A.
Boat form contributions in crowded piperidines:
theoretical and experimental study
Keywords: N-nitroso-2,6-bis(2-furyl)piperidines, conformations, 1H NMR,
13C NMR, semiempirical AM1 calculations
.., ..
-
, -
: , -,
, -
.., ..
-
: ,
, ,
,
.., .., ..,
.., ..
16(S)-- 15--
: , , ,
Singh U.P., Aggarwal V.
Structural studies of nickel(II) complexes with
1-tert-butylimidazole-2-thione and 3-phenyl-5-methyl-pyrazole
ligands
Keywords: synthesis, 1-tert-butylimidazole-2-thione, nickel(II),
3-phenyl-5-methyl-pyrazole, non-covalent interactions
Coscarello E.N., Barbiric D.A., Castro E.A., Vico R.V.,
Buján E.I., de Rossi R.H.
Comparative analysis of complexation of pesticides
(fenitrothion, methylparathion, parathion) and their
carboxylic ester analogues by -cyclodextrin.
Theoretical semiempirical calculations
Keywords: supramolecular complexes, -cyclodextrin, inclusion
compounds, semiempirical calculations, pesticides
..
: ,
707
698
691
685
676
669
658
Стр.2
.., .., .., ..
2-1-(-)
: 2- 1-(-),
, , ,
.., .., ..
: , ,
-, ,
.., .., .., ..,
.., ..
()--4--[(2--1,1-)
]
: ,
, ()--4-[(2--1,1-)]
XIV
15 –21 200 8 .,
..
:
H-
: , ,
, , , ,
.., ..
: , ,
, - , ,
,
.., .., ..,
.., .., .., ..
N-
4-(4-)
: N- 4-(4-),
,
..
4- 4,4-
: ,
, ,
...
,
753
748
739
729
726
723
720
Стр.3
.., ..
1,4-
: , ,
-, ,
.., ..
-F..., F...
F...F
, F-
: F..., F...
F...F, F-, - ,
-
.., .., .., ..
«–»
:
, , ,
.., ..
: ,
, , , ,
.., .., ..
: ,
, ,
,
.., .., .., ..,
.., .., .., ..
(III)
: , -,
(III), ,
.., .., .., ..
: , ,
, - , ,
.., ..
-
: ,
,
—
©
, 4, 2009
817
809
802
795
787
780
767
761
Стр.4