Study of the electronic structure of molecules by the self-consistent discrete variation Xα method in a basis of numerical hartree-fock functions. III. Calculation of the ionization potentials of small molecules G. L. GutsevA. A. Levin OriginalPaper Pages: 655 - 662
Study of the electronic structure of molecules by the self-consistent discrete variation Xα method in a basis of numerical hartree-fock functions IV. Calcuation of the ionization potentials and energies of the optical transitions for the permanganate ion G. L. GutsevA. A. Levin BriefCommunication Pages: 663 - 665
Quantum-chemical study of many-fragment molecules containing the carbonyl group. I. Photoelectron spectrum V. S. CherkasovO. N. Vylegzhanin OriginalPaper Pages: 666 - 669
Construction of bases from grouped functions of the Gaussian type Yu. G. AbashkinA. I. Dement'evN. G. Rambidi OriginalPaper Pages: 670 - 675
Calculation of the potential constants of diatomic molecules by numerical differentiation methods V. P. MorozovG. I. Bezverkhnyaya OriginalPaper Pages: 676 - 680
CNDO calculation for metallocenes of elements of the 3d transition series I. I. Grinval'dN. N. VyshinskiiA. V. Zolotukhin OriginalPaper Pages: 680 - 686
Calculation of the reduced moment of inertia and estimation of the potential function for the hindered internal rotation in various methyl- and chloro-substituted vinylsilanes L. V. KhristenkoA. A. ZenkinV. I. Tyulin OriginalPaper Pages: 686 - 690
NMR structural analysis of the hydrogen bond in alkaline earth metal hydrogen fluorides N. K. MorozA. M. PanichS. P. Gabuda OriginalPaper Pages: 691 - 698
Electron spin echo study of the characteristic features of the solvation of the nitroxide radical in frozen methanol solutions S. A. DikanovYu. D. Tsvetkov OriginalPaper Pages: 699 - 708
Synthesis, gamma-resonance spectra, and structure of layer compounds of graphite containing FeCl3 and MoCl5 or FeCl3 and WCl6 A. V. Nefed'evN. D. LapkinaM. E. Vol'pin OriginalPaper Pages: 709 - 714
Theoretical study of the mechanism of associative nucleophilic substitution in compounds of five-coordinated nontransition elements of groups V and VI R. M. MinyaevV. I. Minkin OriginalPaper Pages: 715 - 725
Modeling the structure of liquid water by the Monte Carlo method L. P. D'yakonovaG. G. Malenkov OriginalPaper Pages: 725 - 731
Three-dimensional structure of aryldichlorophosphines and thienyldichlorophosphine from Kerr-effect data R. P. ArshinovaS. G. Vul'fson OriginalPaper Pages: 732 - 736
Structure of organophosphorus compounds. Part XI. The crystal and molecular structure of triphenylphosphazo-1-chloro-2,2-dicyanoethylene Ph3P=N−C(Cl)=C(CN)2 M. Yu. AntipinA. E. KalininYu. P. Egorov OriginalPaper Pages: 737 - 744
Crystal and molecular structure of sodium quinoline-8-thiolate dihydrate S. K. ApinitisA. A. KemmeJ. J. Bleidelis OriginalPaper Pages: 744 - 749
Three-dimensional structure of two isomers of the pentacyclic steroid N-methoxysteroido-[16α,17α-d]-tetrahydro-1′,2′-oxazole L. G. Vorontsova OriginalPaper Pages: 749 - 754
Molecular and crystal structure of the adduct of anthracene with maleic anhydride I. V. BulgarovskiiZ. V. ZvonkovaI. G. Il'ina OriginalPaper Pages: 755 - 759
Quantum-chemical calculations of electronic structures and molecular properties within the framework of approximate schemes of zero differential overlap. II. Results of specific calculations of molecular properties within the framework of semiempirical ZDO schemes N. M. KlimenkoA. S. ZyubinO. P. Charkin Reviews Pages: 760 - 782
Applicability of the SCF-Xα-SW method to the calculation of the ionization potentials of the core levels of the molecules SF6, H2S, and SO2 S. A. ProsandeevA. P. KovtunR. V. Vedrinskii Brief Communications Pages: 783 - 784
Distribution of the oscillator strengths in the K absorption spectra of the Co and N2 molecules A. V. KondratenkoL. N. MazalovK. M. Neiman Brief Communications Pages: 785 - 787
Structure of the molecule of bis(trimethylamine) alane H3Al·2N(CH3)3 in the gaseous phase V. S. MastryukovA. V. GolubinskiiL. V. Vilkov Brief Communications Pages: 788 - 790
Electron-diffraction study of the structure of the chloromethyldichlorophosphine molecule L. L. TuzovaV. A. Naumov Brief Communications Pages: 790 - 793
1H and13C NMR spectroscopic determination of the configuration of 1,2-cyclohexanedione dioxime and 1,2,3-cyclohexanetrione trioxime Yu. S. RyabokobylkoG. S. PetrovaN. A. Kaslina Brief Communications Pages: 793 - 794
1H,2D, and13C NMR study of the trifluoroacetate-trifluoroacetic acid system in CH2Cl2 A. A. SamoilenkoN. P. MakoveevaN. N. Shapet'ko Brief Communications Pages: 794 - 795
ESR of Pb3+ in synthetic YAl3[BO3]4 crystals V. I. NovozhilovN. I. LeonyukM. I. Samoilovich Brief Communications Pages: 796 - 797
Parameters of the hyperfine interaction of Cu2+ ions in a crystal field V. E. IstominM. Ya. Shcherbakova Brief Communications Pages: 798 - 800
Paramagnetic complexes of various nitroxide radicals with water and methanol in frozen solutions S. A. DikanovYu. D. Tsvetkov Brief Communications Pages: 800 - 802
Possibility of determining the conformations of sterically hindered derivatives of benzene by calculating the characteristics of their ultraviolet spectra by the CNDO/S method V. L. GineititeL. Z. Balyavichyus Brief Communications Pages: 803 - 804
Conformational analysis of various dialkyl peroxo compounds A. A. TurovskiiN. A. Turovskii Brief Communications Pages: 804 - 805
Dielectric properties of aqueous solutions of dipropylacetamide E. S. VerstakovV. V. GoncharovYu. M. Kessler Brief Communications Pages: 806 - 807
Crystal structure of the superionic conductor RbAg4I5 in the temperature range from −45 to +135° L. O. AtovmyanV. V. TkachevE. A. Ukshe Brief Communications Pages: 808 - 809
X-ray structural study of vanadocene M. Yu. AntipinÉ. B. LobkovskiiYu. T. Struchkov Brief Communications Pages: 810 - 811
X-ray structural study of tetrahydro-tetrakis (diphenylethylphosphino) tungsten E. B. LobkovskiiV. D. MakhaevK. N. Semenenko Brief Communications Pages: 812 - 813
Analytical calculation of spin-spin molecular integrals with orbitals of the slater type I. I. GuseinovÉ. M. Imamov Brief Communications Pages: 814 - 816
Program realizing the INDO method in a basis of up to 232 orbitals with the inclusion of d orbitals A. M. NesterenkoV. G. Maslov Brief Communications Pages: 817 - 818
Specification of the boundary conditions in the Xα-scattered wave method S. F. RuzankinV. I. Avdeev Brief Communications Pages: 818 - 820
Program for carrying out calculations for molecules and clusters by the Xα-scattered wave method S. F. Ruzankin Brief Communications Pages: 821 - 822
Electron-diffraction study of the molecular structure of gem-difluorocyclopropyltrichlorosilane T. M. KuznetsovaN. V. AlekseevN. N. Veniaminov Brief Communications Pages: 823 - 825
Chemical shifts in the19F NMR spectra of M2SiF6, M2GeF6, M2SnF6, and MBF4 V. I. SergienkoL. N. Ignat'evaV. M. Kalenik Brief Communications Pages: 825 - 827
Structure of crystalline phenyl methyl sulfones É. G. YarkovaN. R. SafiullinaI. V. Bautina Brief Communications Pages: 828 - 829
Crystal structure of sodium bis(iminodiacetato)cobaltate(II) heptahydrate Ya. M. NesterovaT. N. PolynovaN. M. Muratova Brief Communications Pages: 830 - 831
