Works matching IS 00224766 AND DT 2005 AND VI 46 AND IP 1
Results: 30
Transformation of Bloch representation into atomic orbital representation and combined matrix element calculation technique for spatially bounded basis functions in crystals.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 1, doi. 10.1007/s10947-006-0001-9
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Structural and thermodynamic analysis of heteroassociation of daunomycin and flavin mononucleotide molecules in water by <sup>1</sup>H NMR spectroscopy.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 67, doi. 10.1007/s10947-006-0010-8
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Identification of Pt(II) and Pd(II) stereoisomeric complexes with aminobutyric acid by NMR and IR spectroscopy.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 75, doi. 10.1007/s10947-006-0011-7
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Structure of irradiated polytetrafluoroethylene according to DFT calculations of NMR chemical shifts.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 87, doi. 10.1007/s10947-006-0012-6
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Prepeak in the structural factor. Inhomogeneous packings of Lennard-Jones atoms.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 93, doi. 10.1007/s10947-006-0013-5
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Interatomic voids in analysis of computer model structures of liquids and glasses.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 98, doi. 10.1007/s10947-006-0014-4
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Crystal structure of KPb<sub>2</sub>Cl<sub>5</sub> and KPb<sub>2</sub>Br<sub>5</sub>.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 103, doi. 10.1007/s10947-006-0015-3
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Synthesis, crystal structure, and properties of [Rh(NH<sub>3</sub>)<sub>5</sub>Cl][ReBr<sub>6</sub>].
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 109, doi. 10.1007/s10947-006-0016-2
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Crystal structure of Pb<sub>2</sub>[Fe(CN)<sub>6</sub>]NO<sup>3</sup>·5.5H<sub>2</sub>O.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 116, doi. 10.1007/s10947-006-0017-1
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Synthesis and structure of binuclear compounds of copper(I) with [(3,5-dimethylpyrazole-1-carbothioyl)-amino]-carboxylic esters.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 122, doi. 10.1007/s10947-006-0018-0
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Crystal and molecular structure of [Au(C<sub>14</sub>H<sub>24</sub>N<sub>4</sub>)][H<sub>3</sub>O](ClO<sub>4</sub>)<sub>4</sub>.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 131, doi. 10.1007/s10947-006-0019-z
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Corrugated single-layer graphite sheet as a model of stepped surface of a crystal.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 9, doi. 10.1007/s10947-006-0002-8
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Synthesis and structure of [Ni(dien)<sub>2</sub>]<sub>3</sub>[W<sub>4</sub>S<sub>4</sub>(CN)<sub>2</sub>]·20H<sub>2</sub>O and [Cu(dien)(Hdien)]<sub>2</sub>[W<sub>4</sub>S<sub>4</sub>(CN)<sub>12</sub>]·8H<sub>2</sub>O.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 137, doi. 10.1007/s10947-006-0020-6
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Synthesis and crystal structure of KNa<sub>3</sub>[Fe<sub>3</sub>O(CH<sub>3</sub>COO)<sub>6</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>3</sub> [α-P<sub>2</sub>W<sub>17</sub>Fe(H<sub>2</sub>O)O<sub>61</sub>]·32.5H<sub>2</sub>O.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 147, doi. 10.1007/s10947-006-0021-5
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Molecular and crystal structure of 3-butoxy-4-(1,3,3-trimethyl-2,3-dihydro-1 H-2-indolylidenemethyl)-3-cyclobutene-1,2-dione and its thio analog.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 154, doi. 10.1007/s10947-006-0022-4
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Ab initio investigation of aniline and n-propylamine associates with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 159, doi. 10.1007/s10947-006-0023-3
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Tunneling effects of dyadic prototropic rearrangement of hypophosphorous acid.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 164, doi. 10.1007/s10947-006-0024-2
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Ab initio calculation of the structure of acetate cellulose membranes for reverse osmosis.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 168, doi. 10.1007/s10947-006-0025-1
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Changes in the conformational parameters of 1-allylbenzotriazole in a mixed halide π-complex [CuCl<sub>0.85</sub>Br<sub>0.15</sub>(C<sub>6</sub>H<sub>4</sub>N<sub>3</sub>CH<sub>2</sub>=CH<sub>2</sub>)] under the action of bromine atoms.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 172, doi. 10.1007/s10947-006-0026-0
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Crystal and molecular structure of (hexafluoroacetylacetonato) (pivaloylacetonato)copper(II).
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 177, doi. 10.1007/s10947-006-0027-z
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Crystal and molecular structure of tris( m-chlorophenyl)phosphine selenide.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 182, doi. 10.1007/s10947-006-0028-y
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Disordered crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane perchlorate monohydrate.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 185, doi. 10.1007/s10947-006-0029-x
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Structure of (DMF)<sub>m</sub>(HCl)<sub>n</sub> complexes ( m= 2, n = 3–4).
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 16, doi. 10.1007/s10947-006-0003-7
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Molecular and crystal structure of N-[2H-1,4-benzoxazin-3(4H)-ylidene]-cyclohexane aminium chloride.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 191, doi. 10.1007/s10947-006-0030-4
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Structure and stability of hydrogen fluoride complexes with N,N-dimethylformamide.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 23, doi. 10.1007/s10947-006-0004-6
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Isomer structures of thioketene and its cyclic oligomers. Ab initio calculations.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 28, doi. 10.1007/s10947-006-0005-5
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Quantum chemical study of the effects of interaction of polyhydrated Hg(II) with methylcobalamin — A derivative of vitamin B<sub>12</sub>.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 34, doi. 10.1007/s10947-006-0006-4
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Theoretical study of the conformational states of triosmium clusters with a chiral pinane ligand.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 43, doi. 10.1007/s10947-006-0007-3
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Some aspects of scaling factor calculations for quantum-mechanical molecular force fields.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 49, doi. 10.1007/s10947-006-0008-2
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<sup>63</sup>Cu and <sup>139</sup>La NMR and chemical bonding in anion-deficient perovskite LACu<sub>0.81</sub>Ni<sub>0.19</sub>O<sub>2.5+δ</sub>.
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- Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 59, doi. 10.1007/s10947-006-0009-1
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