Volume 42; Issue 6

Journal of Structural Chemistry

Volume 42; Issue 6

1

Some Structural and Thermodynamic Aspects of Solvation of Single Ions. 1. Thermodynamic Characteristics of Solvation of Single-Charged Ions in Water and Methanol and Their Structural Terms

V. I. Parfenyuk

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 39 KB

english, 2001

2

Some Structural and Thermodynamic Aspects of Solvation of Single Ions. 2. Salt Effects in Aqueous Solutions of 1–1 Electrolytes

V. I. Parfenyuk

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 38 KB

english, 2001

3

Indium Perovskite-Like Phases: Synthesis, Crystal Structure Refinement, and Properties

I. N. Afanasieva, G. M. Kuzmicheva, A. V. Mitin, E. P. Khlybov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 181 KB

english, 2001

4

Crystal Structure of Hexa(μ-bromo)-#x03BC;4-oxo-tetrakis-(1-ethyltetrazole)-tetracopper(II)

A. V. Virovets, G. A. Bikzhanova, L. G. Lavrenova

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 66 KB

english, 2001

5

Electronic Structure, Chemical Bonding, and Properties of Binary Carbides MxM′yCzin the Crystalline and Molecular States: XES, XPS, and Quantum-Chemical Studies

V. M. Cherkashenko, S. Z. Nazarova, A. I. Gusev, A. L. Ivanovskii

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 255 KB

english, 2001

6

Proton-Accepting Ability of Dioxolanes Based on the Parameters of the νOH IR Band in Solution

B. N. Narziev, N. Mulloev

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 19 KB

english, 2001

7

Using Correlation Weight Optimization of the Local Invariants of Graphs for QSPR Simulation of Crystal Lattice Energy

A. P. Toropova, A. A. Toropov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 21 KB

english, 2001

8

The Role of Sublattices in Chemical Bonding in Molecular Ion Crystals

Yu. N. Zhuravlev, A. S. Poplavnoi

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 157 KB

english, 2001

9

Conformational Analysis of p-Substituted Calix[6]arenes by Molecular Mechanics and Quantum-Chemical Methods

A. N. Novikov, V. A. Bacherikov, A. I. Gren

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 83 KB

english, 2001

10

Isomerism and Vibrational Spectra of Alkali Metal Perrhenates: Ab Initio CISD+Q Calculations

V. G. Solomonik, A. V. Marenich

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 59 KB

english, 2001

11

Monoaquabis(2,2′-bipyridine)saccharinatozinc(II) Saccharinate. 1. Structural Study by Single Crystal X-Ray Diffraction, FTIR, and DS Calorimetry

O. Grupce, G. Jovanovski, B. Kaitner, P. Naumov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 83 KB

english, 2001

12

Investigation of the Potential Surface of Tetraalanine-Peptide by Sequentially Locking the Molecular Dynamic Trajectory of the System in Attraction Basins

S. V. Krivov, S. F. Chekmarev, M. Karplus

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 62 KB

english, 2001

13

Modular Analysis of the Crystal Structures of Sulfides and Sulfo Salts with Occupied Tetrahedra of Two Orientations

O. V. Frank-Kamenetskaya

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 264 KB

english, 2001

14

Monodentate and Bridging Bidentate Functions of Pyrazine in the Crystal Structures of [Ni(Pz)2{(i-C4H9)2PS2}2] and [Ni(Pz){(i-C4H9)2PS2}2]n

L. A. Glinskaya, R. F. Klevtsova, T. E. Kokina, S. V. Larionov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 91 KB

english, 2001

15

Crystal and Molecular Structure of 2H- and 2-(p-Tolylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-ones

B. Tashkhodzhaev, K. K. Turgunov, B. Usmanova, B. A. Urakov, I. I. Vorontsov, M. Yu. Antipin, Kh. M. Shakhidoyatov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 62 KB

english, 2001

16

Effect of the Basis on the Accuracy of Dipole Moment Estimation for Acetanilide

G. A. Isaeva, A. V. Dmitriev, P. P. Isaev, A. V. Zainutdinov, A. N. Rozhkov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 25 KB

english, 2001

17

Crystal Structure Peculiarities of 2-Methoxycarbonylaminoquinazolone-4

B. Tashkhodzhaev, K. K. Turgunov, Kh. M. Shakhidoyatov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 38 KB

english, 2001

18

A Density Functional Study of Ozone and Oxygen Surface Structures on Ni(110)

I. I. Zakharov, I. N. Shapavalova, O. I. Zakharova, G. O. Tatarchenko, N. F. Tyupalo

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 61 KB

english, 2001

19

A New Method of Calculating Multicenter Matrix Elements in MO LCAO Theory Using an Exponential Type Basis

B. K. Novosadov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 61 KB

english, 2001

20

Quantum-Chemical Calculations of the Structure of the Triplet Reaction Complexes in Anionic Polymerization of Butadiene

K. K. Kalninsh, A. F. Podolskii

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

21

Asymmetry of H2O Molecules in the Liquid State and Its Consequences

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 136 KB

english, 2001

22

CaBa2Cu2FeO7 Phase: Synthesis, Structure, and Mössbauer Spectra

R. A. Stukan, G. A. Kochetov, Yu. N. Kil'yanov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 31 KB

english, 2001

23

Crystal Structure of the Energy Compound Tris(ethylenediamine)nickel(II) Dinitroamidate [Ni(en)3][N(NO2)2]2

G. V. Romanenko, V. L. Varand, N. V. Podberezskaya, D. Yu. Naumov, S. A. Gromilov, S. V. Larionov

Journal:

Journal of Structural Chemistry

Year:

2001

Language:

english

File:

PDF, 51 KB

english, 2001