-
-
-
-
1960 .
53
-
-
.., .., ..,
..
C72H102N12Ni13O40
: Ni13
.., ..
: ,
, , ,
, ,
Zhang C.-Y., Cui L.-Y., Wang B.-Q., Zhang J., Lu J.
Encapsulation of transition metals in aluminum nitride
fullerene: TM@(AlN)12 (TM= Ti, Mn, Fe, Co, Ni)
Keywords: density functional theory,
endohedral complexes, inclusion energy, energy gap,
deformation energy
Qiu Z.M., Cai H.Z., Wang H.L., Xia Y.M., Wang H.J.
DFT and MP2 investigations on the hydrogen bonding
interaction between 5,6-dihydrothymine and DNA
bases: A,C,G,T
Keywords: DNA bases, hydrogen bond, 5,6-dihydrothymine
1065
1059
1052
1045
- 6
6, 2012
-
-
2012
Стр.1
.., .., ..,
.., .., -.., ..
: ,
,
,
.., -.., ..
,
- -
2,5--1,3-
: - -- 2,5--1,3,
, ,
, -
.., .., ..,
.., .., ..,
.., ..
Fe(III)
: Fe(III), ,
, ,
-, , ,
,
Tong J., Chen Y., Liu S., Xu X., Cheng F.
Estimation and prediction of 13C NMR chemical shifts
of carbon atoms in both alcohols and thiols
Keywords: quantitative structure-spectrum relationship,
13C NMR chemical shifts of alcohols and thiols,
atomic ionicity index, polarizability effect index,
stereoscopic effect parameters ()
.., .., ..,
.., .., ..,
..
1,2--60-
: ,
1,2--60-,
,
.., .., .., ..
: ,
1113
1107
1102
1090
1084
1074
Стр.2
..
?
: , ,
1,3-, , ,
-
.., .., ..
,
: , , ,
,
.., .., ..,
.., ..
-
: - ,
, ,
,
.., .., ..,
.., ..
[Zn(HL)Cl] · EtOH (2L =
() )
: , , (II),
-() ,
Nfor E.N., Eno E.A., Foba-Tendo J.N., Iniama G.E.,
Duke E.O., Offiong O.E.
Copper(II) malonate coordination frameworks
with amino-1,2,4-triazole: crystal structures
and magnetic properties of
[Cu2(mal)2(datz)2(H2O)] · 5H2O
and [Cu2(mal)2(atz)2(H2O)] · 3H2O
Keywords: malonate, 1,2,4-triazole, carboxylate,
crystal structures, magnetic properties
.., .., ..
--(2--2,6-3--5-)Pd(II)
: i- Pd(II),
MOCVD, ,
..
[Re6Q8(OH)6]4– (Q = S Se)
: , , ,
1154
1148
1141
1135
1129
1125
1119
Стр.3