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

   • Ramon Carbó-Dorca

   Letter to the Editor 27 September 2012 Pages: 413 - 419

2. Position-momentum Heisenberg uncertainty in Gaussian enfoldments of Euclidian space

   • Ramon Carbó-Dorca

   Brief Communication 29 September 2012 Pages: 420 - 426

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

   • Josef Paldus
   • Tokuei Sako
   • Geerd H. F. Diercksen

   Original Paper 30 September 2012 Pages: 427 - 450

4. Long time behaviour of a stochastic model for continuous flow bioreactor

   • Zhenzhen Chen
   • Tonghua Zhang

   Original Paper 30 September 2012 Pages: 451 - 464

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

   • G. Milani

   Original Paper 06 October 2012 Pages: 465 - 491

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

   • V. Skakauskas
   • P. Katauskis

   Original Paper 09 October 2012 Pages: 492 - 502

7. Correlation between Fourier series expansion and Hückel orbital theory

   • Yue Liu
   • Ying Liu
   • Michael G. B. Drew

   Original Paper 12 October 2012 Pages: 503 - 531

8. 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

   Original Paper 13 October 2012 Pages: 532 - 555

9. Analytical-numerical solution for turbulent jet diffusion flames of hydrogen

   • F. N. Pereira
   • G. S. L. Andreis
   • N. R. Marcílio

   Original Paper 13 October 2012 Pages: 556 - 568

10. Bounds for the Kirchhoff index via majorization techniques

    • Monica Bianchi
    • Alessandra Cornaro
    • Anna Torriero

    Original Paper 14 October 2012 Pages: 569 - 587

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

    • Biswajit Das
    • Kinshuk Banerjee
    • Gautam Gangopadhyay

    Original Paper 16 October 2012 Pages: 588 - 602

12. On maximal resonance of polyomino graphs

    • Saihua Liu
    • Jianping Ou

    Original Paper 21 October 2012 Pages: 603 - 619

13. Rényi entropy of the U(3) vibron model

    • E. Romera
    • R. del Real
    • Á. Nagy

    Original Paper 31 October 2012 Pages: 620 - 636

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

    • Qunyi Bie
    • Qiru Wang

    Original Paper 01 November 2012 Pages: 637 - 659

15. Function extended spaces

    • Ramon Carbó-Dorca
    • Emili Besalú

    Original Paper 02 November 2012 Pages: 660 - 671

16. 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
    • G. Matthias Ullmann

    Original Paper Open access 08 November 2012 Pages: 672 - 695

17. 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
    • G. Matthias Ullmann

    Original Paper Open access 11 November 2012 Pages: 696 - 714

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

    • Ying Liu
    • Yue Liu
    • Michael G. B. Drew

    Original Paper 13 November 2012 Pages: 715 - 740

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

    • Ying Liu
    • Yue Liu
    • Michael G. B. Drew

    Original Paper 13 November 2012 Pages: 741 - 762

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

    • Ali Akbari
    • Norman H. March
    • Angel Rubio

    Original Paper 27 November 2012 Pages: 763 - 773

    

21. Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms

    • Ramon Carbó-Dorca

    Original Paper 28 November 2012 Pages: 774 - 784

22. Indecomposable representations and boson realizations of the nonlinear deformed angular momentum algebra of Witten’s first type

    • YouNing Li
    • HuaJun Huang
    • Dong Ruan

    Original Paper 28 November 2012 Pages: 785 - 809