First-principles study of the crystal structure and equation of state of naphthaline and anthracene Yu. N. ZhuravlevI. A. FedorovM. Yu. Kiyamov OriginalPaper 26 July 2012 Pages: 417 - 423
Electron-nuclear Hamiltonian for molecules with internal rotation L. A. GribovN. I. Prokof’eva OriginalPaper 26 July 2012 Pages: 424 - 427
Structure and intramolecular stabilization of geometric isomers of Bi- and trithiazolidine-4-ones and their methyl derivatives: A DFT and QTAIM study G. V. BaryshnikovB. F. MinaevA. T. Baryshnikova OriginalPaper 26 July 2012 Pages: 428 - 435
Bond energies (Pt-NH3, Pt-Cl) and proton affinity of cisplatin: A density functional theory approach M. JuhászS. TakahashiT. Fujii OriginalPaper 26 July 2012 Pages: 436 - 442
Prediction of monomer reactivity parameters using quantum chemical descriptors X. L. YuZ. D. TanX. Y. Wang OriginalPaper 26 July 2012 Pages: 443 - 448
Bond rupture force measurement by means of a quartz resonator F. N. Dultsev OriginalPaper 26 July 2012 Pages: 449 - 459
N,N′-dipyridoxyl(ethylenediamine) schiff-base ligand and its square-pyramidal copper(II) complex: Synthesis, experimental and theoretical characterization S. A. BeyramabadiA. MorsaliA. A. Esmaeili OriginalPaper 26 July 2012 Pages: 460 - 467
Pseudopotential calculation of the structure and thermodynamics of liquid alkali metals with a square-well model as a reference system N. É. DubininA. A. YuryevN. A. Vatolin OriginalPaper 26 July 2012 Pages: 468 - 475
Thermodynamic perturbation theory of simple liquids: Monte Carlo simulation of a hard sphere system and the Helmholtz free energy of SW fluids Yu. T. Pavlyukhin OriginalPaper 26 July 2012 Pages: 476 - 486
Effects of electrolyte concentration, temperature, and pressure on the sechenov salt-effect parameter: He-NaCl-H2O system V. K. AbrosimovE. Yu. Lebedeva OriginalPaper 26 July 2012 Pages: 487 - 494
Structure of heteroassociates formed in the HF-(CH3)2CO binary liquid system E. G. TarakanovaG. V. Yukhnevich OriginalPaper 26 July 2012 Pages: 495 - 502
Structure of complex salts [Co(NH3)6][Rh(NO2)6] and [Co(NH3)6][(NO2)3Rh(μ-NO2)1+x (μ-OH)2−x Rh(NO2)3]·(2-x)(H2O), x = 0.17 A. I. GubanovN. V. KuratievaS. V. Korenev OriginalPaper 26 July 2012 Pages: 503 - 508
Structure and characterization of a 1d double chain copper(II) complex {[Cu(BIX)2(H2O)2](PhCOO)2} n G. -H. CuiJ. -C. GengC. -H. Jiao OriginalPaper 26 July 2012 Pages: 509 - 513
Crystal structures of [Pd(En)2](ReO4)2, [Pd(En)2](NO3)2, and [PdL2](ReO4)2 (L: N,N′-diiso-propylideneethane-1,2-diamine) S. P. KhranenkoE. A. BykovaS. A. Gromilov OriginalPaper 26 July 2012 Pages: 514 - 520
Complex salts with participation of [Rh(NH3)6]3+ cations S. P. KhranenkoE. A. BykovaS. A. Gromilov OriginalPaper 26 July 2012 Pages: 521 - 526
Double complex salts [Pd(NH3)4]3[Rh(NO2)6]2, [Pd(NH3)4]3[Rh(NO2)6]2·H2O as promising precursors to prepare Pd-Rh nanoalloys A. A. RybinskayaP. E. PlyusninS. V. Korenev OriginalPaper 26 July 2012 Pages: 527 - 533
Molecular structure, quantum chemical investigation, and thermal behavior of (DNAZ-CO)2 H. X. MaN. N. ZhaoJ. R. Song OriginalPaper 26 July 2012 Pages: 534 - 541
Crystal structure of salts of indole alkaloid norfluorocurarine B. TashkhodzhaevM. M. MirzaevaP. Kh. Yuldashev OriginalPaper 26 July 2012 Pages: 542 - 547
Phase composition and structure of nanocrystalline products of solid-phase oxidative thermolysis of iron oxalate dihydrate D. A. YatsenkoV. P. PakharukovaA. A. Sidel’nikov OriginalPaper 26 July 2012 Pages: 548 - 556
Structure and microstructure of nano-crystalline samples of the composition Re0.65Pt0.35 E. A. BykovaA. V. ZadesenetsS. A. Gromilov OriginalPaper 26 July 2012 Pages: 557 - 562
Structure of molecular nanoparticles of petroleum asphaltenes M. Yu. DolomatovS. A. ShutkovaS. V. Dezortsev OriginalPaper 26 July 2012 Pages: 563 - 567
Supramolecular architecture of a 1:1 complex of pyrogallol with dimethylsulfoxide T. M. PolyanskayaA. I. Smolentsev OriginalPaper 26 July 2012 Pages: 568 - 573
Theoretical study on the molecular electronic properties of salicylic acid derivatives as anti- inflammatory drugs E. Mousavinezhad SarasiaM. E. S. SolimanB. Honarparvar OriginalPaper 26 July 2012 Pages: 574 - 581
A computational evaluation of the structure and heat of formation of halotrifluoromethyl-sulfane compounds XC(O)SCF3 (X = F and Cl) C. Buendía-Atencio Brief Communications 26 July 2012 Pages: 582 - 587
Re-determination of the crystal structure of heyrovskyite mineral Pb6Bi2S9 (Kudryavyi Volcano, Iturup Island, Kurils, Russia) N. V. PervukhinaS. V. BorisovI. V. Chaplygin OriginalPaper 26 July 2012 Pages: 588 - 592
X-ray study of the third polymorphic structure of μ-oxo-bis[(octaethylporphinato)iron(III)]: [(OEPFe)2O)] M. Khorasani-MotlaghM. NoroozifarB. O. Patrick OriginalPaper 26 July 2012 Pages: 593 - 597
Crystal structure of a new mononuclear complex of Mn(II) with a bbbi ligand (bbbi = 1,4-bis(benzimidazol-1-yl)-2-butene) G. -H. CuiT. -F. LiuC. -H. Jiao OriginalPaper 26 July 2012 Pages: 598 - 602
Crystal structure of bis[2-((E)-(p-tolylimino) methyl)-6-bromo-4-chlorophenol]copper(II) X. H. Pu OriginalPaper 26 July 2012 Pages: 603 - 605
Nanoporous solvate of N,N-phthaloyl-glycine N. A. TumanovN. A. PankrushinaE. V. Boldyreva OriginalPaper 26 July 2012 Pages: 606 - 609
Crystal structure of nickel(II) bis-(1,1,1,-trifluoro-5,5-dimethyl-2,4-hexanedionate)-1,3-diaminopropane S. I. DorovskikhD. A. PiryzevN. B. Morozova OriginalPaper 26 July 2012 Pages: 610 - 613
Crystal and molecular structure of the complex of N-(1-silatranylmethyl)-3,5-dimethylpyrazole with cobalt dichloride M. G. VoronkovÉ. A. Zel’bstO. M. Trofimova OriginalPaper 26 July 2012 Pages: 614 - 617
