Works matching IS 00224766 AND DT 2006 AND VI 47

Results: 168

Modeling the solvation shell of complexes in solution for quantum chemical calculations of electronic spectra.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1022, doi. 10.1007/s10947-006-0421-6

By:

Sizova, O.;
Sizov, V.

Publication type:

Article

Ab initio and density functional studies of cooperative hydrogen bonding in calix[4]-and calix[6]arenes.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1003, doi. 10.1007/s10947-006-0419-0

By:

Novikov, A.;
Bacherikov, V.;
Shapiro, Yu.;
Gren, A.

Publication type:

Article

Ab initio calculations of structure and stability of small boron nitride clusters.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1016, doi. 10.1007/s10947-006-0420-7

By:

Mileev, M.;
Kuzmin, S.;
Parfenyuk, V.

Publication type:

Article

Calculations of van der Waals interaction energies for Al, Cr, Fe, and Ir acetylacetonate crystals.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1032, doi. 10.1007/s10947-006-0422-5

By:

Prokuda, O.;
Belosludov, V.;
Igumenov, I.;
Stabnikov, P.

Publication type:

Article

Quantum chemical study of the reaction mechanism of the methylmercury cation with 2-mercapto-2-methyltetrahydro-1,4-thiazino[2,3,3,4- i,j]quinolinium chloride in aqueous media.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1042, doi. 10.1007/s10947-006-0423-4

By:

Shagun, V.;
Smirnov, V.;
Shagun, L.

Publication type:

Article

Theoretical investigation of the electronic spectra of aromatic nitrosooxides with allowance for solvent effects.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1051, doi. 10.1007/s10947-006-0424-3

By:

Talipov, M.;
Ryzhkov, A.;
Hursan, S.;
Safiullin, R.

Publication type:

Article

Topological analysis of Ge-O bonds in trichlorogermanes Cl3GeCH2YC(O)R.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1059, doi. 10.1007/s10947-006-0425-2

By:

Alekseev, N.;
Chernyshev, E.

Publication type:

Article

Theoretical study of the structure of (O→Si)-(acetoxymethyl)trifluorosilane dimers.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1066, doi. 10.1007/s10947-006-0426-1

By:

Chipanina, N.;
Aksamentova, T.;
Voronkov, M.;
Turchaninov, V.

Publication type:

Article

Structure and energy studies of β-diketonates. XIII. Molecular structure of gadolinium tris-hexafluoroacetylacetonate Gd(C5O2HF6)3.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1071, doi. 10.1007/s10947-006-0427-0

By:

Girichev, G.;
Tverdova, N.;
Shlykov, S.;
Rybkin, V.;
Kuzmina, N.;
Rogachev, A.

Publication type:

Article

Complexes of quinolone drugs norfloxacin and ciprofloxacin with alkaline earth metal perchlorates.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1078, doi. 10.1007/s10947-006-0428-z

By:

Upadhyay, S.;
Kumar, P.;
Arora, V.

Publication type:

Article

Hydration heat capacities of hydrophobic solutes at 248–373 K.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1084, doi. 10.1007/s10947-006-0429-y

By:

Korolev, V.

Publication type:

Article

Structural effects of solvation of unsaturated fatty acids C18: n in tetrachloromethane found in investigations of the volumetric properties of solutions.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1091, doi. 10.1007/s10947-006-0430-5

By:

Ramazanova, A.;
Korolev, V.;
Ivanov, E.

Publication type:

Article

Crystal structure of sodium potassium zinc diphosphate NaKZnP2O7.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1098, doi. 10.1007/s10947-006-0431-4

By:

Shepelev, Yu.;
Lapshin, A.;
Petrova, M.

Publication type:

Article

Phase transitions of intercalation inclusion compounds C2F0.92Br0.0· yCH3CN in the temperature range 20–260°C.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1141, doi. 10.1007/s10947-006-0437-y

By:

Shubin, Yu.;
Pinakov, D.;
Chekhova, G.;
Alferova, N.;
Logvinenko, V.

Publication type:

Article

Structure and properties of heterocomplex compounds based on lead(II) hexafluoroacetylacetonate and copper(II) β-diketonates.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1111, doi. 10.1007/s10947-006-0433-2

By:

Baidina, I.;
Krisyuk, V.;
Stabnikov, P.

Publication type:

Article

X-ray diffraction study of volatile complexes of dimethylgold(III) derived from symmetrical β-diketones.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1117, doi. 10.1007/s10947-006-0434-1

By:

Zharkova, G.;
Baidina, I.;
Igumenov, I.

Publication type:

Article

X-ray diffraction investigation of siloxanes. I. Effects of organic substituents at the silicon atoms on the structure of acyclic trisiloxane-1,5-diols and on formation of different hydrogen bond systems.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1127, doi. 10.1007/s10947-006-0435-0

By:

Malinovskii, S.;
Tesuro Vallina, A.;
Stoeckli-Evans, H.

Publication type:

Article

X-ray diffraction investigation of siloxanes. II. Dependence of the structure of cyclic trisiloxanes on the nature of organic substituents at the silicon atom.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1134, doi. 10.1007/s10947-006-0436-z

By:

Malinovskii, S.;
Tesuro Vallina, A.;
Stoeckli-Evans, H.

Publication type:

Article

Synthesis of [M(NH3)5Cl](ReO4)2 (M = Cr, Co, Ru, Rh, Ir) and investigation of thermolysis products. Crystal structure of [Rh(NH3)5Cl](ReO4)2.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1103, doi. 10.1007/s10947-006-0432-3

By:

Shubin, Yu.;
Filatov, E.;
Baidina, I.;
Yusenko, K.;
Zadesenetz, A.;
Korenev, S.

Publication type:

Article

Modeling of 1,2,4,5-tetrazine complexes with organic amines.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1155, doi. 10.1007/s10947-006-0438-x

By:

Grishina, M.;
Potemkin, V.;
Bartashevich, E.;
Sinyaev, A.;
Rusinov, G.;
Latosh, N.;
Ganebnykh, I.;
Koryakova, O.;
Ishmetova, R.

Publication type:

Article

Ordering of Cu(II) ions in supported copper-titanium oxide catalysts.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1161, doi. 10.1007/s10947-006-0439-9

By:

Altynnikov, A.;
Tsikoza, L.;
Anufrienko, V.

Publication type:

Article

Quantum chemical study of complexation of trimethylaluminum with chlorine-containing solvents.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1170, doi. 10.1007/s10947-006-0440-3

By:

Vakulin, I.;
Zagidullina, A.;
Talipov, R.;
Vostrikova, O.

Publication type:

Article

Quantum chemical calculations of the isomer shift in iron(II) complexes of 1,2,4-triazoles with a 1 A 1 ⇔ 5 T 2 spin transition.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1177, doi. 10.1007/s10947-006-0441-2

By:

Varnek, V.;
Kryuchkova, N.;
Bushuev, M.

Publication type:

Article

Synthesis and crystal and molecular structure of the mixed-ligand coordination compound ZnPhen( n-C4H9OCS2)2.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1182, doi. 10.1007/s10947-006-0442-1

By:

Klevtsova, R.;
Leonova, T.;
Glinskaya, L.;
Larionov, S.

Publication type:

Article

Synthesis and structure of copper(II) trans-diaqua-bis(3-hydroxybenzoylhydrazine) nitrate dihydrate [Cu(C7H8O2N2)2(OH2)2](NO3)22H2O.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1188, doi. 10.1007/s10947-006-0443-0

By:

Miminoshvili, É.;
Miminoshvili, K.;
Zazashvili, S.;
Beridze, L.

Publication type:

Article

Conformational flexibility and aromaticity of azanaphthalenes.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 823, doi. 10.1007/s10947-006-0397-2

By:

Zhigalko, M.;
Shishkin, O.

Publication type:

Article

Geometrical and electronic structure of LaI3 molecule from the gas electron diffraction data and quantum chemical calculations.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 850, doi. 10.1007/s10947-006-0400-y

By:

Giricheva, N.;
Shlykov, S.;
Girichev, G.;
Galanin, I.

Publication type:

Article

Effects of the vibronic interaction on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 801, doi. 10.1007/s10947-006-0394-5

By:

Saraev, V.;
Yunda, A.;
Kraikivskii, P.;
Lammertsma, K.

Publication type:

Article

Nature of the chemical bond of hydrogen and oxygen atoms with PT(100) surface: Quantum chemical calculation and disappearance potential spectra.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 808, doi. 10.1007/s10947-006-0395-4

By:

Tapilin, V.;
Tsybiktarov, V.;
Cholach, A.

Publication type:

Article

Use of the ion polarization theory to interpret certain regularities of changes in characteristics and properties of inorganic compounds.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 813, doi. 10.1007/s10947-006-0396-3

By:

Vlaev, L.;
Georgieva, V.;
Genieva, S.

Publication type:

Article

Structure of large noncrystalline Lennard-Jones models.

Published in:

Journal of Structural Chemistry, 2006, v. 47, p. S126, doi. 10.1007/s10947-006-0387-4

By:

Naberukhin, Yu. I.;
Voloshin, V. P.

Publication type:

Article

Mechanism of mercury monomethyl cation detoxication in the interaction with 1-chloro-2,2-propane dithiol.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 831, doi. 10.1007/s10947-006-0398-1

By:

Shagun, V.;
Smirnov, V.;
Shagun, L.;
Shevchenko, S.;
Frolov, Yu.

Publication type:

Article

Structure of SmCl3, DyCl3, and HoCl3 molecules based on the data of synchronous electron diffraction and mass-spectrometric experiment.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 839, doi. 10.1007/s10947-006-0399-0

By:

Giricheva, N.;
Shlykov, S.;
Girichev, G.;
Chernova, E.;
Levina, Yu.

Publication type:

Article

Changes in the zirconium local surrounding on ligand substitution in solutions.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 860, doi. 10.1007/s10947-006-0401-x

By:

Kanazhevskii, V.;
Shmachkova, V.;
Kotsarenko, N.;
Kolomiichuk, V.;
Kochubei, D.

Publication type:

Article

Theoretical approach to the magnetic properties of Co(II) ion in CoL2·5H2O compound (L is 5-chloro-2-methoxybenzoate).

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 869, doi. 10.1007/s10947-006-0402-9

By:

Bayri, A.;
Sulu, M.;
Isik, F.

Publication type:

Article

Atomic sublattices: Problems of indexing powder patterns, structural model determination.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 875, doi. 10.1007/s10947-006-0403-8

By:

Borisov, S.;
Pervukhina, N.;
Magarill, S.

Publication type:

Article

Crystal structure of uranyl tungstate Cs2U2WO10.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 881, doi. 10.1007/s10947-006-0404-7

By:

Alekseev, E.;
Suleimanov, E.;
Marychev, M.;
Chuprunov, E.;
Fukin, G.

Publication type:

Article

Synthesis and crystal structure of a second polymorph of N,N′-bis(salicylidene)-3,5,3′,5′-tetramethyl-biphenyl-4,4′-diamine.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 994, doi. 10.1007/s10947-006-0417-2

By:

Xu, L.;
Qi, X.;
Kim, S.-J.

Publication type:

Article

A new Co(II) complex with N,O-donor Schiff base: Synthesis, structure and characterization.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 998, doi. 10.1007/s10947-006-0418-1

By:

Xu, L.;
Mironov, Yu.;
Qi, X.;
Kim, S.-J.

Publication type:

Article

“Chemical portrait” of fullerene molecules.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 4, p. 593, doi. 10.1007/s10947-006-0344-2

By:

Sheka, E. F.

Publication type:

Article

Molecular and crystal structure of nido-9-C5H5N-11-I-7, 8-C2B9H10: Supramolecular architecture based on hydrogen bonds X-H⋯I (X = B, C).

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 887, doi. 10.1007/s10947-006-0405-6

By:

Polyanskaya, T.

Publication type:

Article

Crystal structures of condensation products of 3,5-dibromosalicylic aldehyde with streptocide, norsulfazole, and ethazole.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 923, doi. 10.1007/s10947-006-0409-2

By:

Chumakov, Yu.;
Tsapkov, V.;
Bocelli, G.;
Antonsyak, B.;
Palomares-Sánches, S.;
Ortiz, R.;
Gulya, A.

Publication type:

Article

Synthesis and structure of [Re3S3.7Br4.3(PPh3)3]·0.5CH2Cl2.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 985, doi. 10.1007/s10947-006-0415-4

By:

Petrov, P.;
Peresypkina, E.;
Virovets, A.;
Nadolinnyi, V.;
Konchenko, S.

Publication type:

Article

Synthesis, X-ray structural and spectroscopic study of [ bis(1,10-phenanthrolinium)](1+) {3,3′- commo-bis-[η5-1,2-dicarba-(3)-nickel(III)- closo-dodecaborate]}(1-), [H(1,10-C12H8N2)2]+{NiIII[η5-(3)-1,2-B9C2H11]2}−

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 894, doi. 10.1007/s10947-006-0406-5

By:

Polyanskaya, T.;
Nadolinnyi, V.;
Volkov, V.;
Il'inchik, E.;
Drozdova, M.

Publication type:

Article

Syntheses and structures of nine-coordinate K3[DyIII(nta)2(H2O)]·5H2O and eight-coordinate (NH4)3[DyIII(nta)2] complexes.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 906, doi. 10.1007/s10947-006-0407-4

By:

Wang, J.;
Liu, X.;
Zhang, Zh.;
Zhang, X.;
Gao, G.;
Kong, Y.;
Li, Y.

Publication type:

Article

Synthesis, structure, luminescence properties, quantum chemistry and cytotoxic effects of two vanadium(IV) complexes with polypyrazolylborates, HB(pz)3VO(acac) and HB(3,5-Me2pz)3VO(acac)·CH3CN (pz = pyrazole)

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 913, doi. 10.1007/s10947-006-0408-3

By:

Xing, Y.;
Sun, Z.;
Zou, W.;
Song, J.;
Aoki, K.;
Ge, M.

Publication type:

Article

X-ray photoelectron spectroscopy study of intercalated compounds of fluorinated graphite C2FxBr0.01· yCH3CN.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 930, doi. 10.1007/s10947-006-0410-9

By:

Aseeva, E.;
Pinakov, D.;
Oglezneva, I.;
Chekhova, G.;
Mazalov, L.;
Shubin, Yu.

Publication type:

Article

Crystal structures of cobalt(II) complexes with N-(2-hydroxyethyl)iminodiacetic and N,N-bis(2-carbamoylethyl)aminoacetic acids: Co(Heida)·2H2O and Co(Bcegly)(ClO4)·2H2O.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 989, doi. 10.1007/s10947-006-0416-3

By:

Zabel, M.;
Poznyak, A.;
Pavlovskii, V.

Publication type:

Article

Supramolecular compounds of chloroaquacomplexes [Mo3Q4(H2O)9− x Clx](4− x )+ (Q = S, Se; x = 2, 3, 5) with cucurbit[ n]urils.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 939, doi. 10.1007/s10947-006-0411-8

By:

Chubarova, E.;
Sokolov, M.;
Samsonenko, D.;
Vicent, C.;
Fedin, V.

Publication type:

Article

Specific intermolecular interactions in a heterogeneous system benzophenone-titanium dioxide.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 946, doi. 10.1007/s10947-006-0412-7

By:

Babkov, L.;
Bezrodnaya, T.V.;
Shimanovskaya, V.;
Mel'nik, V.;
Puchkovskaya, G.;
Trukhachev, S.

Publication type:

Article