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.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 1, doi. 10.1007/s10947-006-0001-9

By:

Tapilin, V. M.

Publication type:

Article

Structural and thermodynamic analysis of heteroassociation of daunomycin and flavin mononucleotide molecules in water by 1H NMR spectroscopy.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 67, doi. 10.1007/s10947-006-0010-8

By:

Evstigneev, M. P.;
Rozvadovskaya, A. O.;
Chubarov, A. S.;
Hernandez Santiago, A. A.;
Davies, D. B.;
Veselkov, A. N.

Publication type:

Article

Identification of Pt(II) and Pd(II) stereoisomeric complexes with aminobutyric acid by NMR and IR spectroscopy.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 75, doi. 10.1007/s10947-006-0011-7

By:

Krylova, L. F.;
Matveeva, L. M.

Publication type:

Article

Structure of irradiated polytetrafluoroethylene according to DFT calculations of NMR chemical shifts.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 87, doi. 10.1007/s10947-006-0012-6

By:

Buznik, V. M.;
Gabuda, S. P.;
Kozlova, S. G.;
Ignatieva, L. N.

Publication type:

Article

Prepeak in the structural factor. Inhomogeneous packings of Lennard-Jones atoms.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 93, doi. 10.1007/s10947-006-0013-5

By:

Voloshin, V. P.;
Medvedev, N. N.

Publication type:

Article

Interatomic voids in analysis of computer model structures of liquids and glasses.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 98, doi. 10.1007/s10947-006-0014-4

By:

Medvedev, N. N.;
Voloshin, V. P.

Publication type:

Article

Crystal structure of KPb2Cl5 and KPb2Br5.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 103, doi. 10.1007/s10947-006-0015-3

By:

Merkulov, A. A.;
Isaenko, L. I.;
Pashkov, V. M.;
Mazur, V. G.;
Virovets, A. V.;
Naumov, D. Yu.

Publication type:

Article

Synthesis, crystal structure, and properties of [Rh(NH3)5Cl][ReBr6].

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 109, doi. 10.1007/s10947-006-0016-2

By:

Yusenko, K. V.;
Gromilov, S. A.;
Baidina, I. A.;
Korolkov, I. V.;
Korenev, S. V.

Publication type:

Article

Crystal structure of Pb2[Fe(CN)6]NO3·5.5H2O.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 116, doi. 10.1007/s10947-006-0017-1

By:

Gromilov, S. A.;
Baidina, I. A.;
Denisova, T. A.;
Maksimova, L. G.

Publication type:

Article

Synthesis and structure of binuclear compounds of copper(I) with [(3,5-dimethylpyrazole-1-carbothioyl)-amino]-carboxylic esters.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 122, doi. 10.1007/s10947-006-0018-0

By:

Savelyeva, Z. A.;
Popov, S. A.;
Glinskaya, L. A.;
Klevtsova, R. F.;
Boguslavsky, E. G.;
Tkachev, A. V.;
Larionov, S. V.

Publication type:

Article

Crystal and molecular structure of [Au(C14H24N4)][H3O](ClO4)4.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 131, doi. 10.1007/s10947-006-0019-z

By:

Afanasyeva, V. A.;
Glinskaya, L. A.;
Klevtsova, R. F.;
Sheludyakova, L. A.

Publication type:

Article

Corrugated single-layer graphite sheet as a model of stepped surface of a crystal.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 9, doi. 10.1007/s10947-006-0002-8

By:

Tapilin, V. M.

Publication type:

Article

Synthesis and structure of [Ni(dien)2]3[W4S4(CN)2]·20H2O and [Cu(dien)(Hdien)]2[W4S4(CN)12]·8H2O.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 137, doi. 10.1007/s10947-006-0020-6

By:

Kalinina, I. V.;
Samsonenko, D. G.;
Starikova, Z. A.;
Korlyukov, A. A.;
Lipkowski, J.;
Fedin, V. P.;
Antipin, M. Yu.

Publication type:

Article

Synthesis and crystal structure of KNa3[Fe3O(CH3COO)6(H2O)2]3 [α-P2W17Fe(H2O)O61]·32.5H2O.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 147, doi. 10.1007/s10947-006-0021-5

By:

Izarova, N. V.;
Sokolov, M. N.;
Virovets, A. V.;
Platas, H. G.;
Fedin, V. P.

Publication type:

Article

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.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 154, doi. 10.1007/s10947-006-0022-4

By:

Shishkina, S. V.;
Baumer, V. N.;
Shishkin, O. V.;
Tatarets, A. L.;
Patsenker, L. D.

Publication type:

Article

Ab initio investigation of aniline and n-propylamine associates with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 159, doi. 10.1007/s10947-006-0023-3

By:

Novakov, I. A.;
Korolkov, V. V.;
Pavlyuchko, A. I.;
Gribov, L. A.

Publication type:

Article

Tunneling effects of dyadic prototropic rearrangement of hypophosphorous acid.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 164, doi. 10.1007/s10947-006-0024-2

By:

Prisyazhnyuk, A. V.;
Babin, Yu. V.

Publication type:

Article

Ab initio calculation of the structure of acetate cellulose membranes for reverse osmosis.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 168, doi. 10.1007/s10947-006-0025-1

By:

Butyrskaya, E. V.;
Shaposhnik, V. A.;
Reznikov, A. A.

Publication type:

Article

Changes in the conformational parameters of 1-allylbenzotriazole in a mixed halide π-complex [CuCl0.85Br0.15(C6H4N3CH2=CH2)] under the action of bromine atoms.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 172, doi. 10.1007/s10947-006-0026-0

By:

Goreshnik, E. A.;
Mykhalichko, B. M.;
Davydov, V. N.

Publication type:

Article

Crystal and molecular structure of (hexafluoroacetylacetonato) (pivaloylacetonato)copper(II).

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 177, doi. 10.1007/s10947-006-0027-z

By:

Baidina, I. A.;
Gromilov, S. A.;
Vasilyev, A. D.

Publication type:

Article

Crystal and molecular structure of tris( m-chlorophenyl)phosphine selenide.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 182, doi. 10.1007/s10947-006-0028-y

By:

Chekhlov, A. N.

Publication type:

Article

Disordered crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane perchlorate monohydrate.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 185, doi. 10.1007/s10947-006-0029-x

By:

Chekhlov, A. N.

Publication type:

Article

Structure of (DMF)m(HCl)n complexes ( m= 2, n = 3–4).

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 16, doi. 10.1007/s10947-006-0003-7

By:

Yukhnevich, G. V.;
Tarakanova, E. G.;
Tsoy, O. J.;
Librovich, N. B.;
Kislina, I. S.

Publication type:

Article

Molecular and crystal structure of N-[2H-1,4-benzoxazin-3(4H)-ylidene]-cyclohexane aminium chloride.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 191, doi. 10.1007/s10947-006-0030-4

By:

Shishkina, S. V.;
Desenko, S. M.;
Nazarenko, K. G.;
Shishkin, O. V.

Publication type:

Article

Structure and stability of hydrogen fluoride complexes with N,N-dimethylformamide.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 23, doi. 10.1007/s10947-006-0004-6

By:

Tarakanova, E. G.;
Yukhnevich, G. V.

Publication type:

Article

Isomer structures of thioketene and its cyclic oligomers. Ab initio calculations.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 28, doi. 10.1007/s10947-006-0005-5

By:

Frolov, Yu. L.;
Malkina, A. G.;
Trofimov, B. A.

Publication type:

Article

Quantum chemical study of the effects of interaction of polyhydrated Hg(II) with methylcobalamin — A derivative of vitamin B12.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 34, doi. 10.1007/s10947-006-0006-4

By:

Shagun, V. A.;
Shevchenko, S. G.;
Smirnov, V. I.;
Frolov, Yu. I.

Publication type:

Article

Theoretical study of the conformational states of triosmium clusters with a chiral pinane ligand.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 43, doi. 10.1007/s10947-006-0007-3

By:

Potemkin, V. A.;
Maksakov, V. A;
Korenev, V. S.

Publication type:

Article

Some aspects of scaling factor calculations for quantum-mechanical molecular force fields.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 49, doi. 10.1007/s10947-006-0008-2

By:

Panchenko, Yu. N.;
Bock, Ch. W.;
Maré, G. R.

Publication type:

Article

63Cu and 139La NMR and chemical bonding in anion-deficient perovskite LACu0.81Ni0.19O2.5+δ.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 1, p. 59, doi. 10.1007/s10947-006-0009-1

By:

Pletnev, R. N.;
Yurieva, É. I.;
Verkhovskii, S. V.;
Bazuev, G. V.

Publication type:

Article

Works matching IS 00224766 AND DT 2005 AND VI 46 AND IP 1

Transformation of Bloch representation into atomic orbital representation and combined matrix element calculation technique for spatially bounded basis functions in crystals.

Structural and thermodynamic analysis of heteroassociation of daunomycin and flavin mononucleotide molecules in water by <sup>1</sup>H NMR spectroscopy.

Identification of Pt(II) and Pd(II) stereoisomeric complexes with aminobutyric acid by NMR and IR spectroscopy.

Structure of irradiated polytetrafluoroethylene according to DFT calculations of NMR chemical shifts.

Prepeak in the structural factor. Inhomogeneous packings of Lennard-Jones atoms.

Interatomic voids in analysis of computer model structures of liquids and glasses.

Crystal structure of KPb<sub>2</sub>Cl<sub>5</sub> and KPb<sub>2</sub>Br<sub>5</sub>.

Synthesis, crystal structure, and properties of [Rh(NH<sub>3</sub>)<sub>5</sub>Cl][ReBr<sub>6</sub>].

Crystal structure of Pb<sub>2</sub>[Fe(CN)<sub>6</sub>]NO<sup>3</sup>·5.5H<sub>2</sub>O.

Synthesis and structure of binuclear compounds of copper(I) with [(3,5-dimethylpyrazole-1-carbothioyl)-amino]-carboxylic esters.

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>.

Corrugated single-layer graphite sheet as a model of stepped surface of a crystal.

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.

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.

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.

Ab initio investigation of aniline and n-propylamine associates with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone.

Tunneling effects of dyadic prototropic rearrangement of hypophosphorous acid.

Ab initio calculation of the structure of acetate cellulose membranes for reverse osmosis.

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.

Crystal and molecular structure of (hexafluoroacetylacetonato) (pivaloylacetonato)copper(II).

Crystal and molecular structure of tris( m-chlorophenyl)phosphine selenide.

Disordered crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane perchlorate monohydrate.

Structure of (DMF)<sub>m</sub>(HCl)<sub>n</sub> complexes ( m= 2, n = 3–4).

Molecular and crystal structure of N-[2H-1,4-benzoxazin-3(4H)-ylidene]-cyclohexane aminium chloride.

Structure and stability of hydrogen fluoride complexes with N,N-dimethylformamide.

Isomer structures of thioketene and its cyclic oligomers. Ab initio calculations.

Quantum chemical study of the effects of interaction of polyhydrated Hg(II) with methylcobalamin — A derivative of vitamin B<sub>12</sub>.

Theoretical study of the conformational states of triosmium clusters with a chiral pinane ligand.

Some aspects of scaling factor calculations for quantum-mechanical molecular force fields.

<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>.