Volume 53, Issue 4

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July 2012

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28 articles in this issue

An atomistic level description of guest molecule effect on the formation of hydrate crystal nuclei by ab initio calculations
R. V. Belosludov
H. Mizuseki
V. R. Belosludov
OriginalPaper 29 September 2012 Pages: 619 - 626
Theoretical investigation of ozone hydrate formation conditions
O. S. Subbotin
T. P. Adamova
V. R. Belosludov
OriginalPaper 29 September 2012 Pages: 627 - 633
Electronic structure, Fermi surface, and chemical bonding in new layered oxyselenide: HgCuSeO
V. V. Bannikov
I. R. Shein
A. L. Ivanovskii
OriginalPaper 29 September 2012 Pages: 634 - 638
Structure and electronic properties of the surface of alkali metal peroxides
D. V. Korabel’nikov
Yu. N. Zhuravlev
M. V. Aleinikova
OriginalPaper 29 September 2012 Pages: 639 - 644
Hamiltonian for the electronic states of molecules in chemical transformations
L. A. Gribov
N. I. Prokof’eva
OriginalPaper 29 September 2012 Pages: 645 - 648
DFT, AIM, and NBO analyses of 1-methyl-2-thioxoimidazolidin-4-one tautomers and their complexes with iodine
H. Tavakol
T. Hadadi
H. Roohi
OriginalPaper 29 September 2012 Pages: 649 - 658
Theoretical study on dimers of 2,6-diamino-3,5-dinitropyridine and its N-oxide
L. -F. Xie
C. -C. Ye
F. -Q. Zhao
OriginalPaper 29 September 2012 Pages: 659 - 664
DFT characterization of 1-acetylpiperazinyl-dithiocarbamate ligand and its transition metal complexes
S. A. Beyramabadi
A. Morsali
S. H. Vahidi
OriginalPaper 29 September 2012 Pages: 665 - 675
DFT study on the structure and detonation properties of amino, methyl, nitro, and nitroso substituted 3,4,5-trinitropyrazole-2-oxides: New high energy materials
P. Ravi
G. M. Gore
S. P. Tewari
OriginalPaper 29 September 2012 Pages: 676 - 684
ESR and luminescence of ZnWO₄ crystals activated by gadolinium ions
A. A. Ryadun
E. N. Galashov
V. N. Shlegel
OriginalPaper 29 September 2012 Pages: 685 - 689
X-ray spectroscopic study of the electronic structure of boron carbonitride films obtained by chemical vapor deposition on Co/Si and CoO_x/Si substrates
Yu. V. Fedoseeva
M. L. Kosinova
F. A. Kuznetsov
OriginalPaper 29 September 2012 Pages: 690 - 698
X-ray photoelectron and auger spectroscopic study of the chemical composition of BC_xN_y films
V. G. Kesler
M. L. Kosinova
V. S. Sulyaeva
OriginalPaper 29 September 2012 Pages: 699 - 707
Structure of HfO₂ films and binary oxides on its base
T. P. Smirnova
L. V. Yakovkina
V. V. Kriventsov
OriginalPaper 29 September 2012 Pages: 708 - 714
Preparation of thin films of platinum group metals by pulsed MOCVD. I. Deposition of Ir layers
N. V. Gelfond
N. B. Morozova
A. V. Latyshev
OriginalPaper 29 September 2012 Pages: 715 - 724
Preparation of thin films of platinum group metals by pulsed MOCVD. II. Deposition of Ru layers
N. B. Morozova
N. V. Gelfond
A. V. Latyshev
OriginalPaper 29 September 2012 Pages: 725 - 733
Crystallographic analysis of microtwin structures of sulfides: The case study of lillianite and heyrovskyite
S. V. Borisov
S. A. Magarill
N. V. Pervukhina
OriginalPaper 29 September 2012 Pages: 734 - 739
Crystal structures of 1,1,1-trifluoro-4-hydroxy-4-phenyl-but-3-en-2-one, 2,2,6,6-tetramethyl-3-hydroxy-hept-3-en-5-one, 2,2,6,6-tetramethyl-3-methylamino-hept-3-en-5-one and a study of the ability of these ligands to complex formation with metals
P. A. Stabnikov
L. G. Bulusheva
I. A. Baidina
OriginalPaper 29 September 2012 Pages: 740 - 747
[Co(NH₃)₆](WO₄)Cl: Synthesis, crystal structure, and thermal properties
S. P. Khranenko
A. V. Alexeyev
S. A. Gromilov
OriginalPaper 29 September 2012 Pages: 748 - 752
Crystal structure of 2{[H(1,10-C₁₂H₈N₂)]₂[(B₉C₂H₁₁) Co^III(B₈C₂H₁₀)Co^III(B₉C₂H₁₁)]}·3CH₃CN·3H₂O
T. M. Polyanskaya
M. K. Drozdova
V. V. Volkov
OriginalPaper 29 September 2012 Pages: 753 - 760
Crystal structures of hafnium(IV) and zirconium(IV) complexes with β-diketones
K. V. Zherikova
N. B. Morozova
OriginalPaper 29 September 2012 Pages: 761 - 767
Single crystal X-ray diffraction study of the cubic ionic clathrate hydrate of tetrabutyl ammonium propionate (C₄H₉)₄NC₂H₅COO·27.0H₂O
V. Yu. Komarov
T. V. Rodionova
K. Suwinska
OriginalPaper 29 September 2012 Pages: 768 - 775
Crystal structure of a nickel(II) complex with the macrocyclic ligand 4-methyl-1,3,5,8,11,14-hexaazatricyclooctadecane
X. Jiang
H. Xia
X. Wang
OriginalPaper 29 September 2012 Pages: 776 - 779
Crystal structures of dimolybdenum carbonyl complexes containing the cyclopentadienyl-thienyl ligand
J. -W. Wang
L. -J. Tian
J. Lin
OriginalPaper 29 September 2012 Pages: 780 - 785
Structure and stereochemical assignment of spheropsidone, a phytotoxin from Diplodia cupressi
A. Tuzi
A. Andolfi
A. Evidente
OriginalPaper 29 September 2012 Pages: 786 - 792
Crystal structures of 4-(oxiran-2-ylmethoxy) benzoic acid and 4-acetoxybenzoic acid
A. Obreza
F. Perdih
OriginalPaper 29 September 2012 Pages: 793 - 799
Structural features and conductivity of silicon films: Simulation and experiment
P. L. Novikov
O. I. Semenova
R. G. Sharafutdinov
OriginalPaper 29 September 2012 Pages: 800 - 804
On the formation of the crystalline phases and nanostructure of silicon carbonitride layers grown on gallium arsenide substrates
N. I. Fainer
V. I. Kosyakov
E. A. Maximovskii
OriginalPaper 29 September 2012 Pages: 805 - 811
Composition and structure of silicon carbonitride layers grown on Si(100)/(Fe, N, Co) substrates
N. I. Fainer
V. I. Kosyakov
P. N. Gevko
OriginalPaper 29 September 2012 Pages: 812 - 818

Volume 53, Issue 4

An atomistic level description of guest molecule effect on the formation of hydrate crystal nuclei by ab initio calculations

Theoretical investigation of ozone hydrate formation conditions

Electronic structure, Fermi surface, and chemical bonding in new layered oxyselenide: HgCuSeO

Structure and electronic properties of the surface of alkali metal peroxides

Hamiltonian for the electronic states of molecules in chemical transformations

DFT, AIM, and NBO analyses of 1-methyl-2-thioxoimidazolidin-4-one tautomers and their complexes with iodine

Theoretical study on dimers of 2,6-diamino-3,5-dinitropyridine and its N-oxide

DFT characterization of 1-acetylpiperazinyl-dithiocarbamate ligand and its transition metal complexes

DFT study on the structure and detonation properties of amino, methyl, nitro, and nitroso substituted 3,4,5-trinitropyrazole-2-oxides: New high energy materials

ESR and luminescence of ZnWO₄ crystals activated by gadolinium ions

X-ray spectroscopic study of the electronic structure of boron carbonitride films obtained by chemical vapor deposition on Co/Si and CoO_x/Si substrates

X-ray photoelectron and auger spectroscopic study of the chemical composition of BC_xN_y films

Structure of HfO₂ films and binary oxides on its base

Preparation of thin films of platinum group metals by pulsed MOCVD. I. Deposition of Ir layers

Preparation of thin films of platinum group metals by pulsed MOCVD. II. Deposition of Ru layers

Crystallographic analysis of microtwin structures of sulfides: The case study of lillianite and heyrovskyite

Crystal structures of 1,1,1-trifluoro-4-hydroxy-4-phenyl-but-3-en-2-one, 2,2,6,6-tetramethyl-3-hydroxy-hept-3-en-5-one, 2,2,6,6-tetramethyl-3-methylamino-hept-3-en-5-one and a study of the ability of these ligands to complex formation with metals

[Co(NH₃)₆](WO₄)Cl: Synthesis, crystal structure, and thermal properties

Crystal structure of 2{[H(1,10-C₁₂H₈N₂)]₂[(B₉C₂H₁₁) Co^III(B₈C₂H₁₀)Co^III(B₉C₂H₁₁)]}·3CH₃CN·3H₂O

Crystal structures of hafnium(IV) and zirconium(IV) complexes with β-diketones

Single crystal X-ray diffraction study of the cubic ionic clathrate hydrate of tetrabutyl ammonium propionate (C₄H₉)₄NC₂H₅COO·27.0H₂O

Crystal structure of a nickel(II) complex with the macrocyclic ligand 4-methyl-1,3,5,8,11,14-hexaazatricyclooctadecane

Crystal structures of dimolybdenum carbonyl complexes containing the cyclopentadienyl-thienyl ligand

Structure and stereochemical assignment of spheropsidone, a phytotoxin from Diplodia cupressi

Crystal structures of 4-(oxiran-2-ylmethoxy) benzoic acid and 4-acetoxybenzoic acid

Structural features and conductivity of silicon films: Simulation and experiment

On the formation of the crystalline phases and nanostructure of silicon carbonitride layers grown on gallium arsenide substrates

Composition and structure of silicon carbonitride layers grown on Si(100)/(Fe, N, Co) substrates

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