Works matching IS 00224766 AND DT 2003 AND VI 44 AND IP 6

Results: 24

Numerically Integrable Confined Basis Functions for Band Structure Calculations.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 911, doi. 10.1023/B:JORY.0000034795.57308.d6

By:

Tapilin, V. M.

Publication type:

Article

Electronic Structure and Optical Properties of the Surface F-Centers in MgO: A Theoretical Analysis by DFT Approach.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 918, doi. 10.1023/B:JORY.0000034796.26087.1d

By:

Avdeev, V. I.;
Zhidomirov, G. M.

Publication type:

Article

Quantum Chemical Study of the Lithium Cation Coordination by Dimethylsulfoxide Molecules.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 927, doi. 10.1023/B:JORY.0000034797.12076.f7

By:

Frolov, Yu. L.;
Guchik, I. V.;
Shagun, V. A.;
Vaschenko, A. V.;
Trofimov, B. A.

Publication type:

Article

Quantum Chemical Study of Spatial Structure and Stereoelectronic Properties of Iminodihydrofuran Ensembles.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 932, doi. 10.1023/B:JORY.0000034798.87831.c9

By:

Shagun, V. A.;
Smirnov, V. I.;
Mal'kina, A. G.;
Trofimov, B. A.

Publication type:

Article

Adiabatic Potential Energy Surface of the 1,2,3-Trifluorobenzene Cation-Radical.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 946, doi. 10.1023/B:JORY.0000034799.54040.2f

By:

Vysotskii, V. P.;
Shchegoleva, L. N.

Publication type:

Article

On Feasibility of “Spectroscopic” Calculations of XH Bond Dissociation Energies for Polyatomic Molecules from Fundamental Vibration Frequencies Using the Anharmonic Molecular Model.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 951, doi. 10.1023/B:JORY.0000034800.91677.47

By:

Gribov, L. A.;
Novakov, I. A.;
Pavlyuchko, A. I.;
Orlinson, B. S.

Publication type:

Article

“Spectroscopic” Calculations of CH Bond Dissociation Energies for Ethane, Propane, Butane, Isobutane, Pentane, Hexane, and Neopentane Using Fundamental Vibration Frequencies.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 961, doi. 10.1023/B:JORY.0000034801.99644.d7

By:

Gribov, L. A.;
Novakov, I. A.;
Pavlyuchko, A. I.;
Kulago, I. O.;
Orlinson, B. S.

Publication type:

Article

Force Constant Transportability Problem.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 970, doi. 10.1023/B:JORY.0000034802.51499.ff

By:

Morozov, V. P.;
Dergachev, M. P.;
Lasunin, M. V.

Publication type:

Article

High-Temperature Structural Disorder in R3NbO7.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 975, doi. 10.1023/B:JORY.0000034803.89136.ba

By:

Kovyazina, S. A.;
Perelyaeva, L. A.;
Leonidov, I. A.;
Bakhteeva, Yu. A.

Publication type:

Article

X-Ray Emission Spectra and Electronic Structure of Palladium <MATH>\beta</MATH>-Diketonate Complexes.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 980, doi. 10.1023/B:JORY.0000034804.04796.8b

By:

Mazalov, L. N.;
Trubina, S. V.;
Parygina, G. K.;
Oglezneva, I. M.;
Zharkova, G. I.;
Igumenov, I. K.

Publication type:

Article

State of Water in Hydration Spheres of Potassium Iodide.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 987, doi. 10.1023/B:JORY.0000034805.20455.b9

By:

Afanasiev, V. N.;
Tikhomirov, S. Yu.

Publication type:

Article

Concentration Dependence of the Activation Energy of Conductivity in Aqueous Sodium Selenite and Potassium Tellurite.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 995, doi. 10.1023/B:JORY.0000034806.95289.0d

By:

Vlaev, L. T.;
Genieva, S. D.;
Tavlieva, M. P.

Publication type:

Article

Anomalous Density and Permittivity Effects on the Structure of Water.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1001, doi. 10.1023/B:JORY.0000034807.32927.58

By:

Lokotosh, T. V.;
Malomuzh, N. P.;
Zakharchenko, V. L.

Publication type:

Article

Potential of X-Ray Diffractometry in Structure Identification of Holmium Polysulfides.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1011, doi. 10.1023/B:JORY.0000034808.65441.ab

By:

Belaya, S. V.;
Naumov, D. Yu.;
Podberezskaya, N. V.;
Vasilieva, I. G.;
Pervukhina, N. V.

Publication type:

Article

Covalent Interactions in Mercury Oxohalides and Their Role in Crystal Structure Fragmentation.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1018, doi. 10.1023/B:JORY.0000034809.27255.d4

By:

Borisov, S. V.;
Magarill, S. A.;
Pervukhina, N. V.

Publication type:

Article

Gas Hydrate Frameworks of Allen's Polyhedra. 3. Chemical and Structural Implications of the Topological Properties of the Frameworks.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1026, doi. 10.1023/B:JORY.0000034810.20868.c8

By:

Kosyakov, V. I.

Publication type:

Article

Pathogenic Mineralization on Human Heart Valves. III. Electron Microscopy.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1038, doi. 10.1023/B:JORY.0000034811.28903.9b

By:

Gilinskaya, L. G.;
Rudina, N. A.;
Okuneva, G. N.;
Vlasov, Yu. A.

Publication type:

Article

Synthesis, Properties, and Crystal and Molecular Structures of New Ni(II) Complexes with Sterically Hindered Methoxy-<MATH>\beta</MATH>-iminoketones.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1046, doi. 10.1023/B:JORY.0000034812.80757.f3

By:

Zharkova, G. I.;
Baidina, I. A.;
Gromilov, S. A.;
Vasiliev, A. D.

Publication type:

Article

Saturated Vapor Pressure and Crystal Structure of Bis-(2-imino-4-pentanonato)copper(II).

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1054, doi. 10.1023/B:JORY.0000034813.62351.60

By:

Stabnikov, P. A.;
Baidina, I. A.;
Sysoev, S. V.;
Vanina, N. S.;
Morozova, N. B.;
Igumenov, I. K.

Publication type:

Article

Ab Initio Calculation of the Structure and Functions of Sulfo Cation Exchangers.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1062, doi. 10.1023/B:JORY.0000034814.72172.5f

By:

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

Publication type:

Article

Structure of Modified Polytetrafluoroethylene According to DFT Calculations and 19F NMR Spectroscopy.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1067, doi. 10.1023/B:JORY.0000034815.92570.d8

By:

Buznik, V. M.;
Gabuda, S. P.;
Kozlova, S. G.;
Tsvetnikov, A. K.

Publication type:

Article

Synthesis and Crystal Structure of a New Binaphthylamide.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1071, doi. 10.1023/B:JORY.0000034816.08230.9c

By:

Wang, Yawen;
Liu, Weisheng;
Yu, Kaibei

Publication type:

Article

Structure of d-Metal Complexes with Methylimino-Acetic Acid N-oxide.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1076, doi. 10.1023/B:JORY.0000034817.83985.1a

By:

Raspertova, I. V.;
Zhigalko, M. V.;
Shishkin, O. V.;
Lampeka, R. D.

Publication type:

Article

Crystal Structure of Tetrafluoro(1,10-phenanthroline-N,N<MATH>'</MATH>)silicon Acetonitrile Semisolvate.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 6, p. 1080, doi. 10.1023/B:JORY.0000034818.60427.2d

By:

Chekhlov, A. N.;
Tkachev, V. V.;
Lermontov, S. A.

Publication type:

Article

Works matching IS 00224766 AND DT 2003 AND VI 44 AND IP 6

Numerically Integrable Confined Basis Functions for Band Structure Calculations.

Electronic Structure and Optical Properties of the Surface F-Centers in MgO: A Theoretical Analysis by DFT Approach.

Quantum Chemical Study of the Lithium Cation Coordination by Dimethylsulfoxide Molecules.

Quantum Chemical Study of Spatial Structure and Stereoelectronic Properties of Iminodihydrofuran Ensembles.

Adiabatic Potential Energy Surface of the 1,2,3-Trifluorobenzene Cation-Radical.

On Feasibility of “Spectroscopic” Calculations of XH Bond Dissociation Energies for Polyatomic Molecules from Fundamental Vibration Frequencies Using the Anharmonic Molecular Model.

“Spectroscopic” Calculations of CH Bond Dissociation Energies for Ethane, Propane, Butane, Isobutane, Pentane, Hexane, and Neopentane Using Fundamental Vibration Frequencies.

Force Constant Transportability Problem.

High-Temperature Structural Disorder in R<sub>3</sub>NbO<sub>7</sub>.

X-Ray Emission Spectra and Electronic Structure of Palladium <MATH>\beta</MATH>-Diketonate Complexes.

State of Water in Hydration Spheres of Potassium Iodide.

Concentration Dependence of the Activation Energy of Conductivity in Aqueous Sodium Selenite and Potassium Tellurite.

Anomalous Density and Permittivity Effects on the Structure of Water.

Potential of X-Ray Diffractometry in Structure Identification of Holmium Polysulfides.

Covalent Interactions in Mercury Oxohalides and Their Role in Crystal Structure Fragmentation.

Gas Hydrate Frameworks of Allen's Polyhedra. 3. Chemical and Structural Implications of the Topological Properties of the Frameworks.

Pathogenic Mineralization on Human Heart Valves. III. Electron Microscopy.

Synthesis, Properties, and Crystal and Molecular Structures of New Ni(II) Complexes with Sterically Hindered Methoxy-<MATH>\beta</MATH>-iminoketones.

Saturated Vapor Pressure and Crystal Structure of Bis-(2-imino-4-pentanonato)copper(II).

Ab Initio Calculation of the Structure and Functions of Sulfo Cation Exchangers.

Structure of Modified Polytetrafluoroethylene According to DFT Calculations and <sup>19</sup>F NMR Spectroscopy.

Synthesis and Crystal Structure of a New Binaphthylamide.

Structure of d-Metal Complexes with Methylimino-Acetic Acid N-oxide.

Crystal Structure of Tetrafluoro(1,10-phenanthroline-N,N<MATH>'</MATH>)silicon Acetonitrile Semisolvate.