Correlation energy in bonds. Development of a semiempirical scheme. The CNDO-CMP method I. I. ZakharovG. M. Zhidomirov OriginalPaper Pages: 503 - 509
Restricted Hartree-Fock method for open shells; Self-consistency and Koopmans' theorem A. V. LuzanovYu. F. Pedash OriginalPaper Pages: 510 - 516
Comparison of orbitally stoichiometric-cluster and cyclic-cluster models in the example case of the calculation of the electronic structure of silica A. O. LitinskiiI. P. ZakharovV. A. Tolstonogov OriginalPaper Pages: 517 - 521
Energy structure, chemical bonding, and spectroscopic properties of zirconium dioxide S. P. FreidmanM. Ya. KhodosV. A. Gubanov OriginalPaper Pages: 522 - 526
Electronic structure of H complexes of ethylene oxide with water in the CNDO/BW approximation E. N. KretovaO. P. Yablonskii OriginalPaper Pages: 526 - 531
Conformational analysis of ethyl azidoformate T. L. LebedevaD. S. Zhuk OriginalPaper Pages: 532 - 539
Theoretical study of influence of structure of carbamates on their thermal stability I. B. DorofeevaO. G. Tarakanov OriginalPaper Pages: 539 - 544
Electronographic study of β-styryldiclorophosphine molecule V. Yu. NesterovV. A. Naumov OriginalPaper Pages: 545 - 548
Vibrational spectra and structures of cyclotrisilazane derivatives V. V. KravchenkoM. G. ZaitsevaK. I. Petrov OriginalPaper Pages: 549 - 555
Crystal, molecular structure, and magnetic properties of bis-[4-(2′-oxo-3′, 3′, 3′-trifluorpropylidenyl)-2, 2, 5, 5-tetramethyl-3-imidazolin-1-oxyl] copper(II) Cu(C10H13F3N2O2)2 N. V. PervukhinaV. I. IkorskiiV. V. Bakakin OriginalPaper Pages: 555 - 561
Structures, magnetic parameters, and ESR spectra of dimeric copper(II) methoxonitrophenolates containing coordinated pyridine V. K. VoronkovaL. V. MosinaV. K. Bel'skii OriginalPaper Pages: 562 - 571
Calculations on the ESR spectra of complexes formed by nitroxyl radicals with acceptor center on aluminum oxide A. E. RazumaevaS. N. DobryakovE. V. Lunina OriginalPaper Pages: 571 - 574
Electronic structures of biologically active complexes of palladium with glycine L. N. MazalovÉ. A. Kravtsova OriginalPaper Pages: 575 - 580
Icosahedral coordination of atoms in simple liquids N. N. MedvedevV. P. VoloshinYu. I. Naberukhin OriginalPaper Pages: 581 - 586
Thermodynamics of isotope effects in dissolution of noble gases in mixed solvents A. N. StrakhovS. G. KudryavtsevG. A. Krestov OriginalPaper Pages: 587 - 591
Infrared spectra and structure of lithium perchlorate solutions in binary solvent nitromethane-acetonitrile I. S. PerelyginN. N. Beloborodova OriginalPaper Pages: 592 - 596
IR-spectroscopy study of the conformational equilibrium of morpholine molecules B. N. NarzievM. Nurulloev OriginalPaper Pages: 597 - 600
Crystal and molecular structure of bis-1,4,10,13-tetraoxa-7,16-dithiocyclooctadecanthiocyanato-palladium(II) S. T. MalinovskiiYu. A. SimonovA. N. Boiko OriginalPaper Pages: 600 - 603
Crystal and molecular structure of 4-(phosphonemethyl)-2-hydroxy-2-oxo-1,4,2-oxazaphosphorinane and 4-(hydroxyethyl)-2-hydroxy-2-oxo-1,4,2-oxazaphosphorinane B. I. MakaranetsT. N. PolynovaS. A. Il'ichev OriginalPaper Pages: 603 - 609
X-ray structural investigation of organic ligands of the complexon type. X. Crystal and molecular structure of β-hydroxyethyliminodiacetic acid L. M. Shkol'nikovaA. E. Obodovskaya OriginalPaper Pages: 610 - 618
Crystal structure of molecular 1:2 complex of pyromellidianilic acid and dimethylformamide N. V. MagomedovaL. A. ChetkinaL. A. Shibaev OriginalPaper Pages: 619 - 622
The crystal structure of 3,5-dichlor-2,6-diphenyl-1,4-benzoquinone N. P. KozlovaV. M. AgreB. D. Sviridov OriginalPaper Pages: 623 - 628
Photoelectron spectra of saturated nitrogen-containing organic compounds A. E. LyutsV. Z. GabdrakipovV. A. Petropavlov Review Pages: 629 - 651
Construction of potential curves in quantum-chemical calculations: “Stylized” scanning O. V. SizovaV. I. Baranovskii Brief Communications Pages: 652 - 654
Use of the forced populating of d orbitals to eliminate oscillations during the determination of a self-consistent charge approximation V. I. Khleskov Brief Communications Pages: 654 - 656
Variant of the “Spectroscopic” parametrization of the CNDO method including transition metals V. N. YakovlevV. E. L'vovskiiN. S. Panina Brief Communications Pages: 656 - 657
Quantum-chemical calculation of the geometry of 1-vinylazoles D. K. DanovichV. K. VoronovE. S. Domnina Brief Communications Pages: 658 - 659
An electron-diffraction study of the structure and force field of the zirconium tetrachloride molecule A. N. UtkinV. N. PetrovaV. M. Petrov Brief Communications Pages: 660 - 661
ESR spectrum of Cr(V) with 2,3-dioxynaphthalene in a liquid crystal N. A. NovosadovA. Sh. MukhtarovZ. I. Usmanov Brief Communications Pages: 662 - 664
Peikov analysis of structure of orthorhombic natrolite A. V. SapigaN. A. SergeevI. A. Belitskii Brief Communications Pages: 664 - 666
Diffusion of water molecules in orthorhombic natrolite A. V. SapigaN. A. SergeevI. A. Belitskii Brief Communications Pages: 666 - 668
Influence of the second coordination sphere on the formation of the V L X-ray emission spectra and quantum-yield spectra in alkali-metal metavanadates V. M. CherkashenkoV. R. GalakhovÉ. Z. Kurmaev Brief Communications Pages: 669 - 671
Investigation of the intermolecular interactions and structure of liquid diamines, diols, and amino alcohols by measuring the isothermal compressibility V. N. KartsevM. N. RodnikovaV. G. Markova Brief Communications Pages: 671 - 674
The MNDO-85 system of programs for calculating the electronic structure, physicochemical properties, and reactivity of molecular systems by the MDNO, MNDOC, and AM1 semiepirical methods A. A. BliznyukA. A. Voityuk Brief Communications Pages: 674 - 676
