Modeling Active Centers in Ammonia Synthesis. DFT Study of Dissociative Adsorption of N2 on Ru Clusters S. F. RuzankinV. I. AvdeevA. S. Noskov OriginalPaper Pages: 341 - 350
Application of the Modified Exchange Correlation Potential to the Scattered Wave Cluster Method: Some Problems Yu. L. KorolA. B. SobolevA. Yu. Kuznetsov OriginalPaper Pages: 351 - 356
Additive Schemes for Calculating the Properties of Alkane Conformers Including Interdependent Bond Rotation. I. Enthalpy D. V. SokolovD. Yu. NilovV. M. Smolyakov OriginalPaper Pages: 357 - 364
Complexation of Carbamoylphosphine Oxide with Nitric and Perchloric Acids in Water-Dichloroethane Equilibrium Solutions E. S. StoyanovT. P. Vorob'yovaI. V. Smirnov OriginalPaper Pages: 365 - 375
Structure of the Ligand and Solvation Shells of the Giant Pd561Phen60(OAc)180 Cluster E. S. StoyanovYu. A. ChesalovM. N. Vargaftik OriginalPaper Pages: 376 - 380
Vibrational Spectroscopy Study of Fluorozirconate Glasses Containing Tin Difluoride and Gallium Trifluoride L. N. IgnatievaE. A. StremousovaE. B. Merkulov OriginalPaper Pages: 381 - 387
Geometry Optimization and Quantum-Chemical Calculations of Normal Vibrations for Methyl-N-methylurethane and Methyl-N-(α)Naphthylurethane I. A. ZavodovV. V. ZverevL. I. Maklakov OriginalPaper Pages: 388 - 396
Temperature Dependence of NMR Relaxation Rate in Some Aqueous Electrolytes of Semimolar Concentration N. A. MelnichenkoA. V. BazhanovA. S. Kupriyanov OriginalPaper Pages: 397 - 403
Structure of the Paramagnetic Products of Thiocyanate Photolysis at 77 K L. P. EreminO. Kh. PoleshchukA. E. Lapin OriginalPaper Pages: 404 - 409
Chemical Bond Effects on Line Intensities in Arsenic X-Ray Emission Spectrum T. A. KupriyanovaM. N. FilippovO. I. Lyamina OriginalPaper Pages: 410 - 419
Nanostructural Approach to Proton Ordering in Gas Hydrate Cages M. V. Kirov OriginalPaper Pages: 420 - 428
Topological Limitations for Spheroidal Nanostructures of Gas Hydrate Cages M. V. Kirov OriginalPaper Pages: 429 - 433
X-Ray Investigation of Tungsten Carbides Synthesized by Cumulative Explosion S. A. GromilovS. A. Kinelovskii OriginalPaper Pages: 434 - 440
[Hg3]4+ Cation in Inorganic Crystal Structures S. V. BorisovS. A. MagarillN. V. Pervukhina OriginalPaper Pages: 441 - 447
Structure of Two Crystal Modifications of Cu(II) trans-Bis-(1,1,1-trifluoro-4-iminopentan-2-onate) I. A. BaidinaS. A. GromilovP. A. Stabnikov OriginalPaper Pages: 448 - 456
Crystal Structure Refinement for 3,5-Dimethyl-1,7-diphenyl-4-(2,4,6-trinitrophenyl)-2,6-diazahepta-2,4-diene and Crystal Structure Determination for Its Hydrochloride A. N. Chekhlov OriginalPaper Pages: 457 - 464
X-Ray Photoelectron Diffraction. Possibilities of Surface Structural Analysis E. V. ShalaevaM. V. Kuznetsov OriginalPaper Pages: 465 - 498
Sublattice Method in Chemical Bond Theory for Dolomite Crystals Yu. N. ZhuravlevA. S. Poplavnoi OriginalPaper Pages: 499 - 501
Molecular Conformation of 2,2'-Dinitrodiphenylamine According to Dielectric Studies and Ab Initio Quantum Chemical Calculations I. G. KrivoruchkaA. I. VokinV. K. Turchaninov OriginalPaper Pages: 502 - 505
Crystal Structure of HAsUO6 4H2O E. V. AlekseevS. S. NosovE. V. Chuprunov OriginalPaper Pages: 506 - 510
Crystal Structure of di-(L-alanine)Monophosphite Monohydrate [{\rm C}_3{\rm O}_2{\rm NH}_7 ]_2 \cdot {\rm H}_3 {\rm PO}_3 \cdot {\rm H}_2{\rm O} Yu. I. SmolinA. E. LapshinG. A. Pankova OriginalPaper Pages: 511 - 515
Crystal and Molecular Structure of 4-Nitro-2-oximino-3-phenylamino-3-thiolene-1,1-dioxide A. N. Chekhlov OriginalPaper Pages: 516 - 520
Crystal and Molecular Structure of 1-( p -Tolyl)-4-[4-(N-naphthalimido)butyl]piperazine Yu. A. SimonovYu. M. ChumakovT. A. Voronina OriginalPaper Pages: 521 - 525
Molecular and Crystal Structure of S-(5,6-dinitro-2-benzimidazolyl)methylthiuronium Chloride Yu. E. KambulovE. B. UsovaG. D. Krapivin OriginalPaper Pages: 526 - 530