Theory of molecular structure and chemical bonding

Pestov А.V., Slepukhin P.А., Permaykov А.Е., Yatluk Yu.G. Synthesis and structure of the disc-like cluster C72H102N12Ni13O40 ...............1045

Nilov D.Yu., Smolyakov V.M. A prediction model for the properties of alkyl silanes based on the additivity of energy contributions ...............1052

Zhang C.-Y., Cui L.-Y., Wang B.-Q., Zhang J., Lu J. Encapsulation of transition metals in aluminum nitride fullerene: TM@(AlN)12 (TM= Ti, Mn, Fe, Co, Ni) ...............1059

Qiu Z.M., Cai H.Z., Wang H.L., Xia Y.M., Wang H.J. DFT and MP2 investigations on the hydrogen bonding interaction between 5,6-dihydrothymine and DNA bases: A,C,G,T ...............1065

Study of the structure of molecules by physical methods

Mazalov L.N., Semushkina G.I., Lavrukhina S.A., Korotaev E.V., Boronin A.I., Gulyaev R.V., Basova T.V. X-ray spectral and photoelectron study of the electronic structure of copper phthalocyanine and its fluoro-substituted analog ...............1074

Mamleev A.Kh., Galeev R.V., Fayzullin M.G. Microwave spectrum, rotational constant and DFT calculations of geometry of cis- and trans-2,5-dimethyl-1,3-dioxane ...............1084

Gruzdev M.S., Domracheva N.E., Aleksandrov A.I., Osipova V.P., Chervonova U.V., Kolker A.M., Pashkova T.V., Barashtenko D.V. Сonversion of low spin states in monochelate complex of iron(III) with asymmetric azomethine tridentate ligand ...............1090

Tong J., Chen Y., Liu S., Xu X., Cheng F. Estimation and prediction of 13C NMR chemical shifts of carbon atoms in both alcohols and thiols ...............1102

Biglova Yu.N., Krai'kin V.A., Torosyan S.A., Mikheev V.V., Kolesov S.V., Mustafin A.G., Miftakhov M.S. UV spectroscopy of monosubstituted derivatives of 1,2-dihydro-С60-fullerenes ...............1107

Structure of liquids and solutions

Kartsev V.N., Shtykov S.N., Pankin K.E., Batov D.V. Intermolecular forces and internal pressure of liquids ...............1113

Korolev V.P. How the solvent governs the hydration process ...............1119

Crystal chemistry

Gromilov S.A., Alexeyev A.V., Kinelovskii S.A. Structure of cumulative coatings containing molybdenum carbides ...............1125

Svistunova I.V., Gerasimenko A.V., Korochentsev V.V., Shapkin N.P., Vovna V.I. A study of the crystal structure of chloro- and bromo-substituted acetylacetonates of boron difluoride ...............1129

Glinskaya L.A., Savel'eva Z.A., Bizyaev S.N., Tkachev A.V., Larionov S.V. Crystal and molecular structure of the compound [Zn(HL)Cl]·EtOH (Н2L = chiral bis(menthane) propylenediamine dioxime) ...............1135

Nfor E.N., Eno E.A., Foba-Tendo J.N., Iniama G.E., Duke E.O., Offiong O.E. Copper(II) malonate coordination frameworks with amino-1,2,4-triazole: crystal structures and magnetic properties of [Cu2(mal)2(datz)2(H2O)]·5H2O and [Cu2(mal)2(atz)2(H2O)]·3H2O ...............1141

Baidina I.A., Zharkova G.I., Korol'kov I.V. X-ray study of a volatile Pd(II) trans-bis-(2-methoxy-2.6-dimethyl-3-iminoheptane-5-onato) complex ...............1148

Brylev K.A. Novel crystal structures of potassium salts of chalcohydroxo cluster complexes[Re6Q8(OH)6]4– (Q = S или Se) ...............1154

Zadesenets A.V., Korolkov I.V., Gromilov S.A. Crystal structure and thermal properties of [Pt(NH3)5Cl][ReCl6]Cl·H2O ...............1159

Makotchenko E.V., Baidina I.A., Sheludyakova L.A. Structural investigation of ethylenediammonium tetrachloroaurates(III) ...............1164

Supramolecular and nanodimensional systems

Lodochnikova O.A., Latypova L.Z., Khakimov R.M., Kurbangalieva A.R., Krivolapov D.B., Litvinov I.A. Chiral crystallization of cis-2,3-dichlorobuth-2-ene-1,4-diol ...............1171

Structure of biologically active systems

Rimaz M., Khalafy J., Badali M., Ślepokura K., Lis T., Souldozi A., Ramazani A., Joo S.W. Single crystal X-ray structure of 2,6- di-tert-butyl-4-(3-(4-chlorophenyl)-4-methyl-4,5-dihydroisoxazol-5-yl)phenol 1,4-dioxane hemisolvate ...............1175

Review

Ur Rashid H., Yu K., Zhou J. Lanthanide(ІІІ) chelates as MRI contrast agents:A brief description ...............1181

Brief communications

Liu X., Yajun Y., Xudong W., Yehui W., Meiping J., Chengxian S. Potential energy curves and spectroscopic constants calculations on the ground state of AlC and AlN ...............1207

Korotaev E.V., Peregudova N.N., Mazalov L.N., Sokolov V.V., Kalinkin A.V., Kryuchkova N.A., Dikov Yu.P., Buleev M.I., Filatova I.Yu., Pichugin A.Yu. XPS spectra of powder and single-crystal chromium-copper disulfides ...............1212

Puszko A., Laihia K., Kolehmainen E., Talik Z. Multinuclear 1H, 13C, and 15N magnetic resonance study of ten 4-nitropyridine N-oxides ...............1216

Nieuwenhuyzen M., Saunders G.C. Crystal structure of (ɳ5-pentamethylcyclopentadienyl) (methyldiphenylphosphite-p)dichlororhodium(III) ...............1221

Cuin A., Pereira G.A., Bortoluzzi A.J., Massabni A.C., Corbi P.P. Characterization and crystal structure on thiophenyl-2-methylidene-2-aminophenol ...............1225

Zel'bst E.A., Korlyukov A.A., Voronkov M.G. Crystal and molecular structure of 4-chlor(bebzoiloxy¬methyl)trifluorosilane at 120 K ...............1230