Quantum chemical DFT calculations of the local structure of the hydrated electron and dielectron.
- Published in:
- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 595, doi. 10.1134/S0022476614040027
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- Article
Works matching IS 00224766 AND DT 2014 AND VI 55 AND IP 4
Results: 31
1
2
Structural and thermodynamic consequencies of the interaction of conformational degrees of freedom of azomethines in the nematic phase.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 605, doi. 10.1134/S0022476614040039
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- Article
3
Structures, stabilities, and electronic properties of AlAu ( n = 1-15) clusters: A density functional study.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 612, doi. 10.1134/S0022476614040040
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- Article
4
Properties of the silver cyclic amide Ag(CHNO)(HO) crystal from the periodic DFT computations.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 621, doi. 10.1134/S0022476614040052
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- Article
5
Disiline-doped boron nitride nanotubes: A computational study.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 629, doi. 10.1134/S0022476614040064
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- Article
6
Comparative estimation of the energies of intramolecular C-H...O, N-H...O, and O-H...O hydrogen bonds according to the QTAIM analysis and NMR spectroscopy data.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 636, doi. 10.1134/S0022476614040076
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- Article
7
Spin relaxation and structure of light-induced spin-correlated PCBM/P3HT radical pairs.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 644, doi. 10.1134/S0022476614040088
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- Article
8
Chlorine aggregation in the supramolecular structure of chlorobenzene- o-chlorotoluene solutions.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 651, doi. 10.1134/S002247661404009X
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- Article
9
HO-NHCl system: Thermodynamics and structure of supersaturated (8÷28 m) solutions at 298.15 K.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 660, doi. 10.1134/S0022476614040106
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- Article
10
Behavior of microporous zirconosilicate hilairite under high pressure.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 666, doi. 10.1134/S0022476614040118
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- Article
11
Study of acid pyridine-3-carboxylic acid dodecatungstenphosphate of the composition (CNOH)H[PWO]·2HO.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 674, doi. 10.1134/S002247661404012X
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12
Structure and properties of tripyridine nitrosocomplexes of ruthenium: mer-[Ru(NO)PyCl(OH)]Cl·1.5HO and mer-[Ru(NO)PyCl(HO)]Cl·2HO·0.5HCl.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 682, doi. 10.1134/S0022476614040131
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- Article
13
Unusual layer structure in an ion-paired compound containing tetra(isothiocyanate) cobalt(II) dianion and 4-nitrobenzylpyridinium: Crystal structure and magnetic properties.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 691, doi. 10.1134/S0022476614040143
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- Article
14
Dichlorotriethylphosphine-[ N-formyl- N,N′-bis(3,4-dimethoxy)benzyl-trimethylenediamine] platinum(II).
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 697, doi. 10.1134/S0022476614040155
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- Article
15
Fluorescence and crystal structures of new mercury(II) macrocyclic N-heterocyclic carbene complexes with ether chains.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 703, doi. 10.1134/S0022476614040167
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- Article
16
Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane solvate with ɛ-caprolactam.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 709, doi. 10.1134/S0022476614040179
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- Article
17
1-Methyl-2-((1 E,3 E)-4-phenylbuta-1,3-dienyl)pyridinium iodide: Synthesis, characterization, and X-ray analysis.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 713, doi. 10.1134/S0022476614040180
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- Article
18
Structure and characterization of A 2D cobalt(II) complex [Co(L)] (L = 3-nitro-5-(pyridine-4-yl)benzoate).
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 717, doi. 10.1134/S0022476614040192
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19
Study of new molecular and crystal structures of 4,4,10,10-tetramethyl-1,3,7,9-tetraazospiro[5.5]undecane-2,8-dione and its salts: Monochloride, mononitrate, and tetraiodotellurate.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 722, doi. 10.1134/S0022476614040209
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- Article
20
Crystal structure of a new modification of the cyanide-bridged copper(I) coordination compound [CuCN(bpy)].
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 731, doi. 10.1134/S0022476614040210
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- Article
21
Crystal structure, thermal and fluorescent properties of a 1D Cd(II) coordination polymer based on the bis(benzimidazole) ligand.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 734, doi. 10.1134/S0022476614040222
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- Article
22
Crystal structure and fluorescent properties of a 2D cadmium coordination polymer.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 739, doi. 10.1134/S0022476614040234
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- Article
23
An algorithm to identify the existence and reproducibly obtain single crystals of salts and mixed crystals of amino acids suitable for single crystal XRD and Raman spectroscopy experiments.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 744, doi. 10.1134/S0022476614040246
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24
A small-angle x-ray scattering study of the nanostructural features of high-ash carbon materials.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 750, doi. 10.1134/S0022476614040258
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- Article
25
AN XPS study of the interaction of model Ba/TiO AND Ba/ZrO NSR catalysts with NO.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 757, doi. 10.1134/S002247661404026X
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26
Features of the composition and structural transformations of manganese minerals of the lake Bol'shoe Miassovo (South Ural).
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 764, doi. 10.1134/S0022476614040271
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27
A study of the thermal decomposition of layered perovskite-like oxides ANdTiO and ANdTiO (A = Na, K).
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 771, doi. 10.1134/S0022476614040283
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28
Composition and structure of low-temperature natural carbonates of the calcite-dolomite series.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 779, doi. 10.1134/S0022476614040295
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- Article
29
Small-angle X-ray studies of the GaAsSe solid solution at energies close to as and Se absorption edges.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 786, doi. 10.1134/S0022476614040301
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30
Combined diagnostics of the structure of complex oxide materials and metal catalysts by synchrotron X-ray diffraction.
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- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 791, doi. 10.1134/S0022476614040313
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31
Structure of bi- and trinuclear clusters of aluminum ions at the cationic sites of mordenite.
- Published in:
- Journal of Structural Chemistry, 2014, v. 55, n. 4, p. 583, doi. 10.1134/S0022476614040015
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- Article