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:
- 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:
- 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:
- 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:
- 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:
- 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:
- Publication type:
- Article
Topological analysis of Ge-O bonds in trichlorogermanes Cl<sub>3</sub>GeCH<sub>2</sub>YC(O)R.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1059, doi. 10.1007/s10947-006-0425-2
- By:
- 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:
- Publication type:
- Article
Structure and energy studies of β-diketonates. XIII. Molecular structure of gadolinium tris-hexafluoroacetylacetonate Gd(C<sub>5</sub>O<sub>2</sub>HF<sub>6</sub>)<sub>3</sub>.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1071, doi. 10.1007/s10947-006-0427-0
- By:
- 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:
- 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:
- Publication type:
- Article
Structural effects of solvation of unsaturated fatty acids C<sub>18: n </sub> 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:
- Publication type:
- Article
Crystal structure of sodium potassium zinc diphosphate NaKZnP<sub>2</sub>O<sub>7</sub>.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1098, doi. 10.1007/s10947-006-0431-4
- By:
- Publication type:
- Article
Synthesis of [M(NH<sub>3</sub>)<sub>5</sub>Cl](ReO<sub>4</sub>)<sub>2</sub> (M = Cr, Co, Ru, Rh, Ir) and investigation of thermolysis products. Crystal structure of [Rh(NH<sub>3</sub>)<sub>5</sub>Cl](ReO<sub>4</sub>)<sub>2</sub>.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1103, doi. 10.1007/s10947-006-0432-3
- By:
- 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:
- 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:
- 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:
- 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:
- Publication type:
- Article
Phase transitions of intercalation inclusion compounds C<sub>2</sub>F<sub>0.92</sub>Br<sub>0.0</sub>· yCH<sub>3</sub>CN 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:
- 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:
- 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:
- 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:
- Publication type:
- Article
Quantum chemical calculations of the isomer shift in iron(II) complexes of 1,2,4-triazoles with a <sup>1</sup> A <sub>1</sub> ⇔ <sup>5</sup> T <sub>2</sub> spin transition.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1177, doi. 10.1007/s10947-006-0441-2
- By:
- Publication type:
- Article
Synthesis and crystal and molecular structure of the mixed-ligand coordination compound ZnPhen( n-C<sub>4</sub>H<sub>9</sub>OCS<sub>2</sub>)<sub>2</sub>.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1182, doi. 10.1007/s10947-006-0442-1
- By:
- Publication type:
- Article
Synthesis and structure of copper(II) trans-diaqua-bis(3-hydroxybenzoylhydrazine) nitrate dihydrate [Cu(C<sub>7</sub>H<sub>8</sub>O<sub>2</sub>N<sub>2</sub>)<sub>2</sub>(OH<sub>2</sub>)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>2H<sub>2</sub>O.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1188, doi. 10.1007/s10947-006-0443-0
- By:
- 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:
- Publication type:
- Article
Geometrical and electronic structure of LaI<sub>3</sub> 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- Publication type:
- Article
Structure of SmCl<sub>3</sub>, DyCl<sub>3</sub>, and HoCl<sub>3</sub> 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:
- 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:
- Publication type:
- Article
Theoretical approach to the magnetic properties of Co(II) ion in CoL<sub>2</sub>·5H<sub>2</sub>O 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:
- 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:
- Publication type:
- Article
Crystal structure of uranyl tungstate Cs<sub>2</sub>U<sub>2</sub>WO<sub>10</sub>.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 881, doi. 10.1007/s10947-006-0404-7
- By:
- Publication type:
- Article
Molecular and crystal structure of nido-9-C<sub>5</sub>H<sub>5</sub>N-11-I-7, 8-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>: 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:
- Publication type:
- Article
Synthesis, X-ray structural and spectroscopic study of [ bis(1,10-phenanthrolinium)](1+) {3,3′- commo-bis-[η<sup>5</sup>-1,2-dicarba-(3)-nickel(III)- closo-dodecaborate]}(1-), [H(1,10-C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>]<sup>+</sup>{Ni<sup>III</sup>[η<sup>5</sup>-(3)-1,2-B<sub>9</sub>C<sub>2</sub>H<sub>11</sub>]<sub>2</sub>}<sup>−</sup>
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 894, doi. 10.1007/s10947-006-0406-5
- By:
- Publication type:
- Article
Syntheses and structures of nine-coordinate K<sub>3</sub>[Dy<sup>III</sup>(nta)<sub>2</sub>(H<sub>2</sub>O)]·5H<sub>2</sub>O and eight-coordinate (NH<sub>4</sub>)<sub>3</sub>[Dy<sup>III</sup>(nta)<sub>2</sub>] complexes.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 906, doi. 10.1007/s10947-006-0407-4
- By:
- Publication type:
- Article
Synthesis, structure, luminescence properties, quantum chemistry and cytotoxic effects of two vanadium(IV) complexes with polypyrazolylborates, HB(pz)<sub>3</sub>VO(acac) and HB(3,5-Me<sub>2</sub>pz)<sub>3</sub>VO(acac)·CH<sub>3</sub>CN (pz = pyrazole)
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 913, doi. 10.1007/s10947-006-0408-3
- By:
- 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:
- Publication type:
- Article
X-ray photoelectron spectroscopy study of intercalated compounds of fluorinated graphite C<sub>2</sub>F<sub>x</sub>Br<sub>0.01</sub>· yCH<sub>3</sub>CN.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 930, doi. 10.1007/s10947-006-0410-9
- By:
- Publication type:
- Article
Supramolecular compounds of chloroaquacomplexes [Mo<sub>3</sub>Q<sub>4</sub>(H<sub>2</sub>O)<sub>9− x </sub>Cl<sub>x</sub>]<sup>(4− x </sup>)+ (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:
- 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:
- Publication type:
- Article
NMR structural aspects of the chemistry of V, Mo, W polyoxometalates.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 952, doi. 10.1007/s10947-006-0413-6
- By:
- Publication type:
- Article
Selection of a quantum-chemical method and basis set for optimization of the complex ion Cu(H<sub>2</sub>O)<sup>+</sup>.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 979, doi. 10.1007/s10947-006-0414-5
- By:
- Publication type:
- Article
Synthesis and structure of [Re<sub>3</sub>S<sub>3.7</sub>Br<sub>4.3</sub>(PPh<sub>3</sub>)<sub>3</sub>]·0.5CH<sub>2</sub>Cl<sub>2</sub>.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 985, doi. 10.1007/s10947-006-0415-4
- By:
- Publication type:
- Article
Crystal structures of cobalt(II) complexes with N-(2-hydroxyethyl)iminodiacetic and N,N-bis(2-carbamoylethyl)aminoacetic acids: Co(Heida)·2H<sub>2</sub>O and Co(Bcegly)(ClO<sub>4</sub>)·2H<sub>2</sub>O.
- Published in:
- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 989, doi. 10.1007/s10947-006-0416-3
- By:
- 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:
- Publication type:
- Article