Journal of Structural Chemistry (J STRUCT CHEM+ )

Publisher: Springer Verlag

Journal description

Journal of Structural Chemistry a translation of Zhurnal Strukturnoi Khimii is a publication of the Siberian branch of the Russian Academy of Sciences. This outstanding journal contains papers on all aspects of theoretical and practical structural chemistry emphasizing new physical methods and techniques. It is devoted to studies of the structure of solids liquids and gases ñ including inorganic organic and organometallic compounds crystals minerals radicals and water ñ by methods of electron diffraction X-ray analysis and spectroscopic techniques. The Russian volume-year is published in English beginning in July.

Current impact factor: 0.50

Impact Factor Rankings

2015 Impact Factor Available summer 2015
2013 / 2014 Impact Factor 0.501
2012 Impact Factor 0.575
2011 Impact Factor 0.586
2010 Impact Factor 0.547
2009 Impact Factor 0.453
2008 Impact Factor 0.579
2007 Impact Factor 0.481
2006 Impact Factor 0.345
2005 Impact Factor 0.368
2004 Impact Factor 0.472
2003 Impact Factor 0.479
2002 Impact Factor 0.415
2001 Impact Factor 0.538
2000 Impact Factor 0.507
1999 Impact Factor 0.374
1998 Impact Factor 0.303
1997 Impact Factor 0.315

Impact factor over time

Impact factor
Year

Additional details

5-year impact 0.55
Cited half-life 9.20
Immediacy index 0.07
Eigenfactor 0.00
Article influence 0.13
Website Journal of Structural Chemistry website
Other titles Journal of structural chemistry (Online), Journal of structural chemistry
ISSN 0022-4766
OCLC 48635596
Material type Document, Periodical, Internet resource
Document type Internet Resource, Computer File, Journal / Magazine / Newspaper

Publisher details

Springer Verlag

  • Pre-print
    • Author can archive a pre-print version
  • Post-print
    • Author can archive a post-print version
  • Conditions
    • Author's pre-print on pre-print servers such as arXiv.org
    • Author's post-print on author's personal website immediately
    • Author's post-print on any open access repository after 12 months after publication
    • Publisher's version/PDF cannot be used
    • Published source must be acknowledged
    • Must link to publisher version
    • Set phrase to accompany link to published version (see policy)
    • Articles in some journals can be made Open Access on payment of additional charge
  • Classification
    ​ green

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: By classical molecular dynamics, a series of solutions in the ternary water-lithium nitrate-calcium nitrate system is simulated. The radial distribution functions for different atom pairs are calculated, the coordination numbers are estimated, and the pattern of change of their first solvation shell composition with a change in the component ratio in the model system is examined. The first sphere of water molecule in the solutions with different concentration is considered in detail. Eight main structural types of the nearest-neighbor water molecule surrounding and their major features are identified, the probabilities of the occurrence of these structures in the ternary system are estimated.
    Journal of Structural Chemistry 12/2014; 54(S2):289-296.
  • [Show abstract] [Hide abstract]
    ABSTRACT: The structural and thermodynamic properties are calculated for mixtures of aprotic amides with water and acetonitrile. The simulation approach is used to identify the specific and nonspecific components of the total energy of intermolecular interactions, which are used to calculate the corresponding contributions to the enthalpy of mixing. The negative enthalpies of mixing in the aqueous mixtures are found to be caused not by heterocomponent specific interactions, but by nonspecific ones. The difference in the structural and thermodynamic properties of the aqueous and nonaqueous mixtures of aprotic amides is shown to be largely due to the behavior of the hydrogen bond network of water and the packing of the resulting solutions.
    Journal of Structural Chemistry 12/2014; 54(S2):336-344.
  • [Show abstract] [Hide abstract]
    ABSTRACT: A quantitative topological analysis is conducted of the molecular nanostructures of liquid alcohols as a function of temperature. The analysis is necessary to solve the fundamental problem of the theory of solutions: finding the relationship between the macroparameters of liquids and the structure and properties of intermolecular associates. The analysis is performed using the previously proposed MDGT method, which is based on a combination of molecular dynamics calculations and graph theory. The method enables the recognition and saving of all molecular nanostructures observed in each snapshot of the molecular dynamics trajectory, averaging of data for any number of snapshots to present “averaged” concentrations of associates (dimers, trimers, etc.), and determination of the concentrations and characteristics of isomers (e.g., chains, branched chains, rings, etc.), bond lengths, angles, etc. in each group of associates.
    Journal of Structural Chemistry 12/2014; 54(S2):297-303.
  • [Show abstract] [Hide abstract]
    ABSTRACT: The value and temperature dependence of the Maxwell relaxation time of viscous tensions and the Lagrangian particle radius, which are the main space-time scales in the Lagrange theory of thermal hydrodynamic fluctuations, are discussed. These parameters play the key role in the estimations of the relative value of the collective component of the molecular self-diffusion coefficient. Special attention is paid to the consistency of estimates obtained by different methods.
    Journal of Structural Chemistry 12/2014; 54(S2):197-204.
  • [Show abstract] [Hide abstract]
    ABSTRACT: The kinetics of the formation of Liesegang rings is considered and they are classified. The relationship between the position of the propagating diffusion front and the moments of the formation of Liesegang rings is shown. In order to describe the formation processes of the Liesegang rings a generalized model based on the diffusion equation hierarchy is proposed. The kinetics of changes in the dispersed phase sizes at the initial stage of the formation of Liesegang rings is studied.
    Journal of Structural Chemistry 12/2014; 54(S2):363-378.
  • [Show abstract] [Hide abstract]
    ABSTRACT: Solvophobic effects strongly influence the thermodynamic properties of solutions and are one of the driving forces of self-assembly processes of supramolecular structures. However, the generally accepted definition and a quantitative measure of these effects have so far been absent. Based on the analysis of a large set of experimental data on the thermodynamic functions of solvation in various systems, we propose a qualitative criterion allowing us to judge about whether the solvophobic effects are manifested in the solution or not, and also a method to determine their contributions to the thermodynamic functions of solvation. A feature of the solvophobic effect is a violation of the linear relationship between the Gibbs free energy and the enthalpy of solvation, which is fulfilled for the solutions of different compounds in many non-associated solvents. It is shown that in self-associated solvents the solvophobic effect is observed for any dissolved compounds, including well soluble ones, resulting in an increase in the Gibbs energy of solvation. Previously proposed solvophobicity parameters are considered and compared with our results.
    Journal of Structural Chemistry 12/2014; 54(S2):262-270.
  • [Show abstract] [Hide abstract]
    ABSTRACT: In the work the character of water clusterization in the whole existence domain of its liquid state is discussed: from supercooled states to the critical point. Conclusions about the cluster composition of liquid water are drawn based on the analysis: 1) of the features of dielectric relaxation; 2) character of the temperature dependence of its static dielectric permittivity, and 3) the value and temperature dependence of different contributions to the heat capacity of the system. It is shown that near the water crystallization point tetramers prevail in its structure, with an increase in the temperature trimers start to play the main role, and near the critical point of water dimers become the major associates. At temperatures near the water crystallization point the obtained results well agree with the data on emission and absorption X-ray spectroscopy.
    Journal of Structural Chemistry 12/2014; 54(S2):205-220.
  • [Show abstract] [Hide abstract]
    ABSTRACT: In the axiomatic approach to the derivation of statistical mechanics the theory is based upon the equations of motions of classical mechanics (Hamilton equations). Since these equations are unstable with respect to initial conditions, in the time τ ≈ 10−12 s they generate chaos in the system of atoms and molecules. This chaos can be described by only probability theory laws. The laws of this theory are introduced into statistical mechanics as the second postulate. However, for both postulates (i.e., Hamilton equations and probability theory laws) to be compatible with each other, about one and a half ten of additional requirements defining in detail the matter model underlying the theory must be imposed on the system. This report analyzes only the restrictions imposed by probability theory. The main of them are: a transition to the thermodynamic limit, the condition of correlation attenuation, and a short-range character of the interaction potential. The matter model formulated based on these restrictions is a continuous medium in which a correlation sphere with a small radius R ≈ 10−7 cm (physical point) is submerged. It is submerged in an infinite thermostat, the particles of which behave as the ideal gas relative to the particles forming the correlation sphere. Here all macroscopic parameters of matter in this physical point are determined by the state of the correlation sphere. Thus formulated model determines the macro- and microscopic structure of matter, and finally, results in thermodynamic and hydrodynamic equations.
    Journal of Structural Chemistry 12/2014; 54(S2):187-196.
  • [Show abstract] [Hide abstract]
    ABSTRACT: Based on the characteristic polynomial coefficients (CPCs) of the adjacency matrix A′ of heterogeneous molecular graphs of the molecules containing a tetravalent heteroatom >Si< (>GeSn
    Journal of Structural Chemistry 05/2014; 55(3):424-430.
  • [Show abstract] [Hide abstract]
    ABSTRACT: A database study on the N-H⋯S hydrogen bonding ring motif (R 2 2 (8)) for 1,2,4-triazole-5-thiones is reported. The R 2 2 (8) ring is one of the most general ring motifs observed in the crystallographic literature, however, up to now the ring synthon built by the N-H⋯S interaction has not been particularly described. Probably, in multi-heteroatom systems, other structure-determining stronger interactions may take precedence over weaker N-H⋯S interactions. On the other hand, in recent years, considerable importance has been given to structures determined through N-H⋯S interactions. It is also common in the crystals of 1,2,4-triazole-5-thione derivatives.
    Journal of Structural Chemistry 05/2014; 55(3):520-524.