Works matching IS 00224766 AND DT 2003 AND VI 44 AND IP 6
Results: 24
Electronic Structure and Optical Properties of the Surface F-Centers in MgO: A Theoretical Analysis by DFT Approach.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 918, doi. 10.1023/B:JORY.0000034796.26087.1d
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Quantum Chemical Study of Spatial Structure and Stereoelectronic Properties of Iminodihydrofuran Ensembles.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 932, doi. 10.1023/B:JORY.0000034798.87831.c9
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Numerically Integrable Confined Basis Functions for Band Structure Calculations.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 911, doi. 10.1023/B:JORY.0000034795.57308.d6
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Quantum Chemical Study of the Lithium Cation Coordination by Dimethylsulfoxide Molecules.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 927, doi. 10.1023/B:JORY.0000034797.12076.f7
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Adiabatic Potential Energy Surface of the 1,2,3-Trifluorobenzene Cation-Radical.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 946, doi. 10.1023/B:JORY.0000034799.54040.2f
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State of Water in Hydration Spheres of Potassium Iodide.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 987, doi. 10.1023/B:JORY.0000034805.20455.b9
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“Spectroscopic” Calculations of CH Bond Dissociation Energies for Ethane, Propane, Butane, Isobutane, Pentane, Hexane, and Neopentane Using Fundamental Vibration Frequencies.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 961, doi. 10.1023/B:JORY.0000034801.99644.d7
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Force Constant Transportability Problem.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 970, doi. 10.1023/B:JORY.0000034802.51499.ff
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High-Temperature Structural Disorder in R<sub>3</sub>NbO<sub>7</sub>.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 975, doi. 10.1023/B:JORY.0000034803.89136.ba
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X-Ray Emission Spectra and Electronic Structure of Palladium <MATH>\beta</MATH>-Diketonate Complexes.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 980, doi. 10.1023/B:JORY.0000034804.04796.8b
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On Feasibility of “Spectroscopic” Calculations of XH Bond Dissociation Energies for Polyatomic Molecules from Fundamental Vibration Frequencies Using the Anharmonic Molecular Model.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 951, doi. 10.1023/B:JORY.0000034800.91677.47
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Concentration Dependence of the Activation Energy of Conductivity in Aqueous Sodium Selenite and Potassium Tellurite.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 995, doi. 10.1023/B:JORY.0000034806.95289.0d
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Anomalous Density and Permittivity Effects on the Structure of Water.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1001, doi. 10.1023/B:JORY.0000034807.32927.58
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Potential of X-Ray Diffractometry in Structure Identification of Holmium Polysulfides.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1011, doi. 10.1023/B:JORY.0000034808.65441.ab
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Covalent Interactions in Mercury Oxohalides and Their Role in Crystal Structure Fragmentation.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1018, doi. 10.1023/B:JORY.0000034809.27255.d4
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Structure of Modified Polytetrafluoroethylene According to DFT Calculations and <sup>19</sup>F NMR Spectroscopy.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1067, doi. 10.1023/B:JORY.0000034815.92570.d8
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Pathogenic Mineralization on Human Heart Valves. III. Electron Microscopy.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1038, doi. 10.1023/B:JORY.0000034811.28903.9b
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Synthesis, Properties, and Crystal and Molecular Structures of New Ni(II) Complexes with Sterically Hindered Methoxy-<MATH>\beta</MATH>-iminoketones.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1046, doi. 10.1023/B:JORY.0000034812.80757.f3
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Saturated Vapor Pressure and Crystal Structure of Bis-(2-imino-4-pentanonato)copper(II).
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1054, doi. 10.1023/B:JORY.0000034813.62351.60
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Ab Initio Calculation of the Structure and Functions of Sulfo Cation Exchangers.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1062, doi. 10.1023/B:JORY.0000034814.72172.5f
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Gas Hydrate Frameworks of Allen's Polyhedra. 3. Chemical and Structural Implications of the Topological Properties of the Frameworks.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1026, doi. 10.1023/B:JORY.0000034810.20868.c8
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Synthesis and Crystal Structure of a New Binaphthylamide.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1071, doi. 10.1023/B:JORY.0000034816.08230.9c
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Structure of d-Metal Complexes with Methylimino-Acetic Acid N-oxide.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1076, doi. 10.1023/B:JORY.0000034817.83985.1a
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Crystal Structure of Tetrafluoro(1,10-phenanthroline-N,N<MATH>'</MATH>)silicon Acetonitrile Semisolvate.
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- Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1080, doi. 10.1023/B:JORY.0000034818.60427.2d
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