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
Position-momentum Heisenberg uncertainty in Gaussian enfoldments of Euclidian space Ramon Carbó-Dorca Brief Communication 29 September 2012 Pages: 420 - 426
Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree–Fock potentials Josef PaldusTokuei SakoGeerd H. F. Diercksen Original Paper 30 September 2012 Pages: 427 - 450
Long time behaviour of a stochastic model for continuous flow bioreactor Zhenzhen ChenTonghua Zhang Original Paper 30 September 2012 Pages: 451 - 464
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
Numerical study of long-range surface diffusion influence on catalytic reactivity of spatially inhomogeneous planar surfaces V. SkakauskasP. Katauskis Original Paper 09 October 2012 Pages: 492 - 502
Correlation between Fourier series expansion and Hückel orbital theory Yue LiuYing LiuMichael G. B. Drew Original Paper 12 October 2012 Pages: 503 - 531
High order four-step hybrid method with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation Ibraheem AlolyanT. E. Simos Original Paper 13 October 2012 Pages: 532 - 555
Analytical-numerical solution for turbulent jet diffusion flames of hydrogen F. N. PereiraG. S. L. AndreisN. R. Marcílio Original Paper 13 October 2012 Pages: 556 - 568
Bounds for the Kirchhoff index via majorization techniques Monica BianchiAlessandra CornaroAnna Torriero Original Paper 14 October 2012 Pages: 569 - 587
Entropy production of a mechanically driven single oligomeric enzyme: a consequence of fluctuation theorem Biswajit DasKinshuk BanerjeeGautam Gangopadhyay Original Paper 16 October 2012 Pages: 588 - 602
On maximal resonance of polyomino graphs Saihua LiuJianping Ou Original Paper 21 October 2012 Pages: 603 - 619
Rényi entropy of the U(3) vibron model E. RomeraR. del RealÁ. Nagy Original Paper 31 October 2012 Pages: 620 - 636
Stationary patterns in a two-cell coupled isothermal chemical system with arbitrary powers of autocatalysis Qunyi BieQiru Wang Original Paper 01 November 2012 Pages: 637 - 659
Function extended spaces Ramon Carbó-DorcaEmili Besalú Original Paper 02 November 2012 Pages: 660 - 671
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. MartiniMartin SchlatherG. Matthias Ullmann Original Paper Open access 08 November 2012 Pages: 672 - 695
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. MartiniMartin SchlatherG. Matthias Ullmann Original Paper Open access 11 November 2012 Pages: 696 - 714
A mathematical approach to chemical equilibrium theory for gaseous systems—I: theory Ying LiuYue LiuMichael G. B. Drew Original Paper 13 November 2012 Pages: 715 - 740
A mathematical approach to chemical equilibrium theory for gaseous systems—II: extensions and applications Ying LiuYue LiuMichael G. B. Drew Original Paper 13 November 2012 Pages: 741 - 762
A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms Ali AkbariNorman H. MarchAngel Rubio Original Paper 27 November 2012 Pages: 763 - 773
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
Indecomposable representations and boson realizations of the nonlinear deformed angular momentum algebra of Witten’s first type YouNing LiHuaJun HuangDong Ruan Original Paper 28 November 2012 Pages: 785 - 809