An atomistic level description of guest molecule effect on the formation of hydrate crystal nuclei by ab initio calculations R. V. BelosludovH. MizusekiV. R. Belosludov OriginalPaper 29 September 2012 Pages: 619 - 626
Theoretical investigation of ozone hydrate formation conditions O. S. SubbotinT. P. AdamovaV. R. Belosludov OriginalPaper 29 September 2012 Pages: 627 - 633
Electronic structure, Fermi surface, and chemical bonding in new layered oxyselenide: HgCuSeO V. V. BannikovI. R. SheinA. L. Ivanovskii OriginalPaper 29 September 2012 Pages: 634 - 638
Structure and electronic properties of the surface of alkali metal peroxides D. V. Korabel’nikovYu. N. ZhuravlevM. V. Aleinikova OriginalPaper 29 September 2012 Pages: 639 - 644
Hamiltonian for the electronic states of molecules in chemical transformations L. A. GribovN. 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. TavakolT. HadadiH. 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. XieC. -C. YeF. -Q. Zhao OriginalPaper 29 September 2012 Pages: 659 - 664
DFT characterization of 1-acetylpiperazinyl-dithiocarbamate ligand and its transition metal complexes S. A. BeyramabadiA. MorsaliS. 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. RaviG. M. GoreS. P. Tewari OriginalPaper 29 September 2012 Pages: 676 - 684
ESR and luminescence of ZnWO4 crystals activated by gadolinium ions A. A. RyadunE. N. GalashovV. 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. FedoseevaM. L. KosinovaF. A. Kuznetsov OriginalPaper 29 September 2012 Pages: 690 - 698
X-ray photoelectron and auger spectroscopic study of the chemical composition of BC x N y films V. G. KeslerM. L. KosinovaV. S. Sulyaeva OriginalPaper 29 September 2012 Pages: 699 - 707
Structure of HfO2 films and binary oxides on its base T. P. SmirnovaL. V. YakovkinaV. 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. GelfondN. B. MorozovaA. 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. MorozovaN. V. GelfondA. 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. BorisovS. A. MagarillN. 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. StabnikovL. G. BulushevaI. A. Baidina OriginalPaper 29 September 2012 Pages: 740 - 747
[Co(NH3)6](WO4)Cl: Synthesis, crystal structure, and thermal properties S. P. KhranenkoA. V. AlexeyevS. A. Gromilov OriginalPaper 29 September 2012 Pages: 748 - 752
Crystal structure of 2{[H(1,10-C12H8N2)]2[(B9C2H11) CoIII(B8C2H10)CoIII(B9C2H11)]}·3CH3CN·3H2O T. M. PolyanskayaM. K. DrozdovaV. V. Volkov OriginalPaper 29 September 2012 Pages: 753 - 760
Crystal structures of hafnium(IV) and zirconium(IV) complexes with β-diketones K. V. ZherikovaN. 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. KomarovT. V. RodionovaK. 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. JiangH. XiaX. Wang OriginalPaper 29 September 2012 Pages: 776 - 779
Crystal structures of dimolybdenum carbonyl complexes containing the cyclopentadienyl-thienyl ligand J. -W. WangL. -J. TianJ. Lin OriginalPaper 29 September 2012 Pages: 780 - 785
Structure and stereochemical assignment of spheropsidone, a phytotoxin from Diplodia cupressi A. TuziA. AndolfiA. Evidente OriginalPaper 29 September 2012 Pages: 786 - 792
Crystal structures of 4-(oxiran-2-ylmethoxy) benzoic acid and 4-acetoxybenzoic acid A. ObrezaF. Perdih OriginalPaper 29 September 2012 Pages: 793 - 799
Structural features and conductivity of silicon films: Simulation and experiment P. L. NovikovO. I. SemenovaR. 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. FainerV. I. KosyakovE. 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. FainerV. I. KosyakovP. N. Gevko OriginalPaper 29 September 2012 Pages: 812 - 818