1960 .
52
–
..
(NO)2: DFT
—
: - ,
(DFT),
, NO3 (NO)2,
,
N2 N2O
.., ..
: , H-,
, -
Qiu Z., Xia Yo., Wang H., Diao K.
Hydrogen-bonding interaction of urea with DNA bases:
A density functional theory study
Keywords: DFT, urea, hydrogen bond, interaction energy
Förner W., Badawi H.M.
Study of vibrational spectra and their assignments
for phenylphosphonic and phenylthiophosphonic acid
and comparison to experiments
Keywords: DFT and MP2 calculations, normal coordinate analyses,
vibrational spectra and assignments, phenylphosphonic acid,
phenylthiophosphonic acid
.., .., .., ..
(HfO2)x(Al2O3)1 – x/Si
: , ,
, ,
,
495
487
478
470
461
6
3, 2011
Стр.1
.., ..
: , ,
.., ..
: ,
, ,
.., .., .., ..,
.., ..
Re—Rh
: , , ,
, ,
.., .., ..,
.., .., A.
Bi2O3—SiO2— 5+
V2 O5
: , ,
, , , ,
.., .., ..
«» Bi, In, Pb
: «» ,
, ,
,
.., .., ..
,
-
: , ,
, , , -
.., .., .., ..,
.., .., .., ..
K [Cd2L2Cl4] · CH2Cl2
(L = –
(+)-3-)
CdLCl2
: , , (II), ,
,
547
540
533
526
520
513
503
Стр.2
.., .., .., ..
: , ,
—, ,
, -
.., E.., .., ..
Pd2(-ac)2(acac)2
: , , ,
, ,
.., .., .., ..
-
(iv)
: - (IV), ,
, ,
.., ..
[Au(en)2]Cl(ReO4)2
[Au(en)2](ReO4)3
: , , , ,
.., .., ..,
.., ..
(III)
Bipy Phen
: , , ,
, ,
Wang J., Hu P., Liu B., Xu R., Wang X., Wang D., Zhang L.Q.,
Zhang X.D.
Structural determination of new eight-coordinate
NH4[EuIII(CYDTA)(H2O)2]·4.5H2O
and K2[Eu2
III(PDTA)2(H2O)2]·6H2O complexes
Keywords: EuIII, cydta, pdta, complex, synthesis, structure
Wang J., Hu P., Han G., Zhang L., Li D., Xu R., Chen X.,
Zhang X.D.
New nine-coordinate (NH4)3[YbIII(TTHA)]·5H2O and eightcoordinate
(NH4)[YbIII(PDTA)(H2O)2]·5H2O complexes:
structural determination
Keywords: ytterbium(III), ttha, pdta, complex, synthesis, structure
.., .., .., ..,
..
3,5--1H- 3-O-
: , ,
Ge C., Zhang X., Guo Ya., Zhang R., Bian H., Zhang Sh.
Structural and quantum chemical analysis
on 4,4-di(2-hydroxybenzylamino)diphenylmethane
Keywords: 4,4-di(2-hydroxybenzylamino)diphenylmethane, crystal
structure, quantum chemistry, ONIOM method
605
599
592
585
577
572
566
560
554
Стр.3
Güntepe F., Saraçolu H., Çalıkan N., Yüksektepe Ç.,
Çukurovalı A.
Structure and DFT calculations of 2-{[3-methyl-3-phenylcyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenol
Keywords:
crystal structure, IR spectra , DFT calculations
..
: , , ,
, ,
.., .., ..,
.., ..
(III) L-
: ,
, (III), L-,
,
.., .A., .., ..,
.., ..
[Pd(NH3)4][Rh(NH3)(NO2)5]
: , , ,
, ,
Altaf M., Stoeckli-Evans H., Murtaza Gh., Isab A.A., Ahmad S.,
Shaheen M.A.
Structural characterization of a cadmium(II)-sulfato complex,
[Cd(N,N-diethyl thiourea)4(SO4)]
Keywords: cadmium sulfate, N,N-diethyl thiourea, crystal structure
Chen W.-T., Ying Sh.-M., Xu Ya.-P., Luo Q.-Ya., Liu D.-Sh.
Structure and luminescence of
[Tb0.5(C6NO2H5)3(H2O)2]2n·(H3O)4n(ZnCl5)n(ZnCl4)2n
Keywords: crystal structure, terbium, lanthanide, photoluminescence
Hu Ya.-G.,Chen X.-B.,Gao H.-T., Ding M.-W.
Crystal structure of 2-butylamino-3-(4-fluorophenyl)
benzofuro[3,2-d]pyrimidin-4(3H)-one
Keywords: crystal structure, benzo[4, 5]furo[3, 2-d]pyrimidin-4(3H)-one,
aza-Wittig reaction
Abbasi A., Zamanian S., Tarighi S., Badiei A., Hantehzadeh M.R.
Structural studies of 3-chloro-N-(8quinolyl)benzo[b]thiophene-2-carboxamide
Keywords:
benzothiophene, carboxamide, crystal structure,
hydrogen bonding, CH— interaction, — interaction
—
©
, 3, 2011
653
649
645
640
636
631
618
612
Стр.4