Works matching IS 00224766 AND DT 2003 AND VI 44 AND IP 5

Results: 31

Hole Description of Many-Electron Ionization in the Full Configuration Interaction Method and Coupled Cluster Approximation.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 717, doi. 10.1023/B:JORY.0000029806.98575.85

By:

Luzanov, A. V.

Publication type:

Article

Theoretical Study of Electron Density Delocalization in the Excited States of Transition Metal Complexes.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 728, doi. 10.1023/B:JORY.0000029807.91158.e3

By:

Lyubimova, O. O.;
Baranovskii, V. I.

Publication type:

Article

Quantum-Chemical Study of Hydration Effects for Monomethylmercury, -Cadmium, and -Zinc Cations.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 736, doi. 10.1023/B:JORY.0000029808.94729.d5

By:

Shagun, V. A.;
Shevchenko, S. G.;
Frolov, Yu. L.

Publication type:

Article

Conformational States of Triosmium Clusters with Aminoacid Ligands: A Theoretical Study.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 741, doi. 10.1023/B:JORY.0000029809.88411.8b

By:

Potemkin, V. A.;
Maksakov, V. A.;
Kirin, V. P.

Publication type:

Article

Ab Initio Study of the Conformational and Geometrical Isomerism in Heteroallyl and Heteropropenyl Systems.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 748, doi. 10.1023/B:JORY.0000029810.09191.93

By:

Kobychev, V. B.;
Larionova, E. Yu.;
Klyba, N. S.

Publication type:

Article

Calculation of Spectroscopic Constants for the Ground Electronic States of KRb and RbCs Molecules.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 757, doi. 10.1023/B:JORY.0000029811.46828.0e

By:

Smirnov, A. D.

Publication type:

Article

IR Expert: A New Type of IR Spectroscopy Information System for Solving Spectrum-Structure Problems.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 763, doi. 10.1023/B:JORY.0000029812.06444.bb

By:

Piottukh-Peletskii, V. N.;
Chmutina, K. S.;
Korolevich, M. V.

Publication type:

Article

Substituent Effects on Hyperfine Coupling Constants Analyzed in Terms of <MATH>\pi</MATH>-Bound Electron Perturbation Theory.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 803, doi. 10.1023/B:JORY.0000029818.45976.b0

By:

Vysotskii, Yu. B.;
Bryantsev, V. S.

Publication type:

Article

Electron Diffraction Study of the Molecular Structure of <MATH>6,6'</MATH>-Bis(1,5-diazabicyclo[3.1.0]hexane).

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 779, doi. 10.1023/B:JORY.0000029814.51979.5e

By:

Atavin, E. G.;
Golubinskii, A. V.;
Popik, M. V.;
Kuznetsov, V. V.;
Makhova, N. N.;
Vilkov, L. V.

Publication type:

Article

Gas-Phase Electron Diffraction and Quantum-Chemical Studies of the Molecular Structure of N,N-dimethyldiaziridine.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 784, doi. 10.1023/B:JORY.0000029815.03903.b7

By:

Atavin, E. G.;
Golubinskii, A. V.;
Popik, M. V.;
Kuznetsov, V. V.;
Makhova, N. N.;
Anikeeva, A. V.;
Vilkov, L. V.

Publication type:

Article

Conformational Heterogeneity of a Tripeptide in the Solid State and in Solution: Characterization of a <MATH>\gamma</MATH>-Turn Containing Incipient Hairpin in Solution.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 790, doi. 10.1023/B:JORY.0000029816.31278.7b

By:

Maji, S. K.;
Haldar, D.;
Banerjee, A.;
Mukhopadhyay, Ch.

Publication type:

Article

Ion Mobility and Electrophysical Properties of Potassium Hexafluorozirconate K2ZrF6.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 796, doi. 10.1023/B:JORY.0000029817.42405.48

By:

Kavun, V. Ya.;
Sergienko, V. I.;
Uvarov, N. F.

Publication type:

Article

Structure and Energetics of <MATH>\beta</MATH>-Diketonates. XII. Structure of Lanthanide tris-Dipivaloylmethanates for Er(thd)3 Used as an Example.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 771, doi. 10.1023/B:JORY.0000029813.72652.62

By:

Giricheva, N. I.;
Belova, N. V.;
Girichev, G. V.;
Tverdova, N. V.;
Shlykov, S. A.;
Kuzmina, N. P.;
Zaitseva, I. G.

Publication type:

Article

Investigation of Pathogenic Mineralization on Human Heart Valves. II. ESR Spectroscopy.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 813, doi. 10.1023/B:JORY.0000029819.16581.8a

By:

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

Publication type:

Article

Structure and Magnetochemical Properties of [MII(1,10-C12H8N2)3]2+ (M = Mn, Ni, Cu) Cation Salts with ortho-Carboranes(12).

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 821, doi. 10.1023/B:JORY.0000029820.90550.9c

By:

Volkov, V. V.;
Ikorskii, V. N.;
Drozdova, M. K.;
Lisoyvan, V. I.

Publication type:

Article

Comparison of the Dynamics of Water Molecules in Crystals of Proton-Ordered Ice IX and Its Proton-Disordered Analog III.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 827, doi. 10.1023/B:JORY.0000029821.79767.42

By:

Zheligovskaya, E. A.

Publication type:

Article

Complementary Organization of the Structure of Water.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 836, doi. 10.1023/B:JORY.0000029822.94836.67

By:

Lyashchenko, A. K.;
Dunyashev, V. S.

Publication type:

Article

Synthesis, Structure, and Reversible Thermochromism of Guanidinium Hexabromotellurate(IV).

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 880, doi. 10.1023/B:JORY.0000029830.73340.3b

By:

Storozhuk, T. V.;
Bukvetskii, B. V.;
Mirochnik, A. G.;
Karasev, V. E.

Publication type:

Article

Method for Smoothing the Boundaries of the Van Der Waals Models of Molecules.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 852, doi. 10.1023/B:JORY.0000029824.94149.1d

By:

Lekomtsev, A. S.;
Chernyshev, I. V.

Publication type:

Article

Crystal and Molecular Structure of Cu(II) Bis-(2-methoxy-2,6-dimethyl-3-imino-5-heptanonate).

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 859, doi. 10.1023/B:JORY.0000029825.83710.fd

By:

Baidina, I. A.;
Stabnikov, P. A.;
Pervukhina, N. V.;
Gromilov, S. A.

Publication type:

Article

Crystal Structure of Cu(hfac)2 Complexes with Organomercury Binitroxide.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 864, doi. 10.1023/B:JORY.0000029826.96485.42

By:

Fokin, S. V.;
Romanenko, G. V.;
Baumgarten, M.;
Ovcharenko, V. I.

Publication type:

Article

Crystal Structure of the Azoxy Compound Formed by Photochemical Transformation of Niphedipine.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 870, doi. 10.1023/B:JORY.0000029827.73545.3e

By:

Rybalova, T. V.;
Sedova, V. F.;
Gatilov, Yu. V.;
Shkurko, O. P.

Publication type:

Article

Dihedral Angles in Cyclic Molecules.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 846, doi. 10.1023/B:JORY.0000029823.17159.0b

By:

Atavin, E. G.;
Vilkov, L. V.

Publication type:

Article

Predicted Nitrides with an Antiperovskite Structure.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 885, doi. 10.1023/B:JORY.0000029831.93738.b1

By:

Beznosikov, B. V.

Publication type:

Article

Theoretical Investigation of the Prototropic Diad Rearrangement of Salicylphosphorous and Phthalimidophosphorous Acids.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 874, doi. 10.1023/B:JORY.0000029828.91403.bc

By:

Kalinov, S. M.;
Prisyazhnyuk, A. V.;
Babin, Yu. V.

Publication type:

Article

Structure and Structural Nonrigidity of Tetrachlorodibenzo-p-Dioxin Radical Cations.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 877, doi. 10.1023/B:JORY.0000029829.21349.83

By:

Borisov, Yu. A.;
Kolomiets, A. F.

Publication type:

Article

X-Ray Diffraction Study of Piperidine Octamolybdate.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 889, doi. 10.1023/B:JORY.0000029832.11665.93

By:

Kaziev, G. Z.;
Dutov, A. A.;
Quynones, S.;
Belskii, V. K.;
Zavodnik, V. E.;
Karamnov, M. A.

Publication type:

Article

Crystal Structure Investigation of Ternary Potassium–Manganese–Zirconium Molybdate with a Nasicon Type Structure.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 893, doi. 10.1023/B:JORY.0000029833.70180.d8

By:

Klevtsova, R. F.;
Bazarov, B. G.;
Glinskaya, L. A.;
Vasiliev, A. D.;
Klevtsov, P. V.;
Bazarova, Zh. G.

Publication type:

Article

Crystal and Molecular Structure of 5-Acetylamino-3-nitro-1,2,4-triazole.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 897, doi. 10.1023/B:JORY.0000029834.68326.fc

By:

Vasiliev, A. D.;
Astakhov, A. M.;
Zadov, V. E.;
Molokeev, M. S.;
Bindarovich, O. V.;
Kruglyakova, L. A.;
Stepanov, R. S.

Publication type:

Article

Crystal Structure of O-Methyl Carbamate at 295 K.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 902, doi. 10.1023/B:JORY.0000029835.41609.76

By:

Chekhlov, A. N.

Publication type:

Article

Crystal and Molecular Structure of 6,7,9,10,12,13-Hexahydrodibenzo[<MATH>d, p</MATH>][1,3,6,9,12,15,2]hexaoxathiacycloheptadecine-20-oxide.

Published in:

Journal of Structural Chemistry, 2003, v. 44, n. 5, p. 906, doi. 10.1023/B:JORY.0000029836.86801.63

By:

Chekhlov, A. N.

Publication type:

Article

Works matching IS 00224766 AND DT 2003 AND VI 44 AND IP 5

Hole Description of Many-Electron Ionization in the Full Configuration Interaction Method and Coupled Cluster Approximation.

Theoretical Study of Electron Density Delocalization in the Excited States of Transition Metal Complexes.

Quantum-Chemical Study of Hydration Effects for Monomethylmercury, -Cadmium, and -Zinc Cations.

Conformational States of Triosmium Clusters with Aminoacid Ligands: A Theoretical Study.

Ab Initio Study of the Conformational and Geometrical Isomerism in Heteroallyl and Heteropropenyl Systems.

Calculation of Spectroscopic Constants for the Ground Electronic States of KRb and RbCs Molecules.

IR Expert: A New Type of IR Spectroscopy Information System for Solving Spectrum-Structure Problems.

Substituent Effects on Hyperfine Coupling Constants Analyzed in Terms of <MATH>\pi</MATH>-Bound Electron Perturbation Theory.

Electron Diffraction Study of the Molecular Structure of <MATH>6,6'</MATH>-Bis(1,5-diazabicyclo[3.1.0]hexane).

Gas-Phase Electron Diffraction and Quantum-Chemical Studies of the Molecular Structure of N,N-dimethyldiaziridine.

Conformational Heterogeneity of a Tripeptide in the Solid State and in Solution: Characterization of a <MATH>\gamma</MATH>-Turn Containing Incipient Hairpin in Solution.

Ion Mobility and Electrophysical Properties of Potassium Hexafluorozirconate K<sub>2</sub>ZrF<sub>6</sub>.

Structure and Energetics of <MATH>\beta</MATH>-Diketonates. XII. Structure of Lanthanide tris-Dipivaloylmethanates for Er(thd)<sub>3</sub> Used as an Example.

Investigation of Pathogenic Mineralization on Human Heart Valves. II. ESR Spectroscopy.

Structure and Magnetochemical Properties of [M<sup>II</sup>(1,10-C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>]<sup>2+</sup> (M = Mn, Ni, Cu) Cation Salts with ortho-Carboranes(12).

Comparison of the Dynamics of Water Molecules in Crystals of Proton-Ordered Ice IX and Its Proton-Disordered Analog III.

Complementary Organization of the Structure of Water.

Synthesis, Structure, and Reversible Thermochromism of Guanidinium Hexabromotellurate(IV).

Method for Smoothing the Boundaries of the Van Der Waals Models of Molecules.

Crystal and Molecular Structure of Cu(II) Bis-(2-methoxy-2,6-dimethyl-3-imino-5-heptanonate).

Crystal Structure of Cu(hfac)<sub>2</sub> Complexes with Organomercury Binitroxide.

Crystal Structure of the Azoxy Compound Formed by Photochemical Transformation of Niphedipine.

Dihedral Angles in Cyclic Molecules.

Predicted Nitrides with an Antiperovskite Structure.

Theoretical Investigation of the Prototropic Diad Rearrangement of Salicylphosphorous and Phthalimidophosphorous Acids.

Structure and Structural Nonrigidity of Tetrachlorodibenzo-p-Dioxin Radical Cations.

X-Ray Diffraction Study of Piperidine Octamolybdate.

Crystal Structure Investigation of Ternary Potassium–Manganese–Zirconium Molybdate with a Nasicon Type Structure.

Crystal and Molecular Structure of 5-Acetylamino-3-nitro-1,2,4-triazole.

Crystal Structure of O-Methyl Carbamate at 295 K.

Crystal and Molecular Structure of 6,7,9,10,12,13-Hexahydrodibenzo[<MATH>d, p</MATH>][1,3,6,9,12,15,2]hexaoxathiacycloheptadecine-20-oxide.