Volume 51, Issue 2, February 2013

ISSN: 0259-9791 (Print) 1572-8897 (Online)

In this issue (22 articles)

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  1. No Access

    Letter to the Editor

    About the concept of Chemical Space: a concerned reflection on some trends of modern scientific thought within theoretical chemical lore

    Ramon Carbó-Dorca Pages 413-419
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  2. No Access

    Brief Communication

    Position-momentum Heisenberg uncertainty in Gaussian enfoldments of Euclidian space

    Ramon Carbó-Dorca Pages 420-426
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  3. No Access

    Original Paper

    Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree–Fock potentials

    Josef Paldus, Tokuei Sako, Xiangzhu Li… Pages 427-450
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  4. No Access

    Original Paper

    Long time behaviour of a stochastic model for continuous flow bioreactor

    Zhenzhen Chen, Tonghua Zhang Pages 451-464
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  5. No Access

    Original Paper

    Effective GA approach for a direct evaluation of reaction kinetic within EPDM accelerated sulphur crosslinking

    G. Milani Pages 465-491
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    Original Paper

    Numerical study of long-range surface diffusion influence on catalytic reactivity of spatially inhomogeneous planar surfaces

    V. Skakauskas, P. Katauskis Pages 492-502
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  7. No Access

    Original Paper

    Correlation between Fourier series expansion and Hückel orbital theory

    Yue Liu, Ying Liu, Michael G. B. Drew Pages 503-531
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    Original Paper

    High order four-step hybrid method with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation

    Ibraheem Alolyan, T. E. Simos Pages 532-555
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    Original Paper

    Analytical-numerical solution for turbulent jet diffusion flames of hydrogen

    F. N. Pereira, G. S. L. Andreis, A. L. De Bortoli… Pages 556-568
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  10. No Access

    Original Paper

    Bounds for the Kirchhoff index via majorization techniques

    Monica Bianchi, Alessandra Cornaro, José Luis Palacios… Pages 569-587
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  11. No Access

    Original Paper

    Entropy production of a mechanically driven single oligomeric enzyme: a consequence of fluctuation theorem

    Biswajit Das, Kinshuk Banerjee, Gautam Gangopadhyay Pages 588-602
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  12. No Access

    Original Paper

    On maximal resonance of polyomino graphs

    Saihua Liu, Jianping Ou Pages 603-619
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  13. No Access

    Original Paper

    Rényi entropy of the U(3) vibron model

    E. Romera, R. del Real, M. Calixto, S. Nagy, Á. Nagy Pages 620-636
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    Original Paper

    Stationary patterns in a two-cell coupled isothermal chemical system with arbitrary powers of autocatalysis

    Qunyi Bie, Qiru Wang Pages 637-659
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  15. No Access

    Original Paper

    Function extended spaces

    Ramon Carbó-Dorca, Emili Besalú Pages 660-671
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  16. Original Paper

    On the interaction of two different types of ligands binding to the same molecule part I: basics and the transfer of the decoupled sites representation to systems with n and one binding sites

    Johannes W. R. Martini, Martin Schlather… Pages 672-695
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  17. Original Paper

    On the interaction of different types of ligands binding to the same molecule Part II: systems with n to 2 and n to 3 binding sites

    Johannes W. R. Martini, Martin Schlather… Pages 696-714
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  18. No Access

    Original Paper

    A mathematical approach to chemical equilibrium theory for gaseous systems—I: theory

    Ying Liu, Yue Liu, Michael G. B. Drew Pages 715-740
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  19. No Access

    Original Paper

    A mathematical approach to chemical equilibrium theory for gaseous systems—II: extensions and applications

    Ying Liu, Yue Liu, Michael G. B. Drew Pages 741-762
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  20. No Access

    Original Paper

    A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms

    Ali Akbari, Norman H. March, Angel Rubio Pages 763-773
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