A simple electrotopological index for quantitative structure-activity relationship correlation of physical properties with biomolecular activities Ian N. WeaverDonald F. Weaver Brief Communication 13 January 2013 Pages: 811 - 816
Resonance structure counts in contorted and flat hexabenzocoronenes Sasan KarimiMarty LewinterAnthony Delgado Original Paper 01 December 2012 Pages: 817 - 825
On approximate analytical solutions of differential equations in enzyme kinetics using homotopy perturbation method D. Vogt Original Paper 04 December 2012 Pages: 826 - 842
A naïve geometrical perspective of Fukui functions: definition of Fukui function skew symmetric matrices described on density function sets Ramon Carbó-Dorca Original Paper 05 December 2012 Pages: 843 - 856
Statistical properties of spectra of chloronaphthalenes Dorota Bielińska-W a̧ żPiotr W a̧ żWiesław Nowak Original Paper Open access 07 December 2012 Pages: 857 - 867
Exocyclobutadieneite M. J. BucknumDasari L. V. K. PrasadE. A. Castro Original Paper 07 December 2012 Pages: 868 - 880
A novel algorithm for solving quasi penta-diagonal linear systems Ji-Teng JiaTomohiro Sogabe Original Paper 11 December 2012 Pages: 881 - 889
Electron transfer reactions: generalized spin-boson approach M. MerkliG. P. BermanR. Sayre Original Paper 13 December 2012 Pages: 890 - 913
Modelling linear reactions in inhomogeneous catalytic systems Paulius Miškinis Original Paper 13 December 2012 Pages: 914 - 926
Molecular alignment as a penalized permutation Procrustes problem Farnaz Heidar ZadehPaul W. Ayers Original Paper 18 December 2012 Pages: 927 - 936
A new modified embedded 5(4) pair of explicit Runge–Kutta methods for the numerical solution of the Schrödinger equation Shiwei LiuJuan ZhengYonglei Fang OriginalPaper 19 December 2012 Pages: 937 - 953
A simple and effective technique to variationally interpret the structure of SUSY partners of mirror image potentials Neetik Mukherjee Original Paper 19 December 2012 Pages: 954 - 975
Bound state solutions of the Deng–Fan molecular potential with the Pekeris-type approximation using the Nikiforov–Uvarov (N–U) method K. J. OyewumiO. J. OluwadareO. A. Babalola Original Paper 20 December 2012 Pages: 976 - 991
The homotopy analysis method applied to the Kolmogorov–Petrovskii–Piskunov (KPP) and fractional KPP equations G. Hariharan Original Paper 22 December 2012 Pages: 992 - 1000
Modelling interactions between a PBB and fullerenes Ngamta ThamwattanaThien Tran-DucDuangkamon Baowan Original Paper 24 December 2012 Pages: 1001 - 1022
Particle correlation from uncorrelated non Born–Oppenheimer SCF wavefunctions Paolo AmoreFrancisco M. Fernández Original Paper 29 December 2012 Pages: 1023 - 1035
On the variational solution of morphed molecular potential in a diatomic molecule Ricardo D. Letelier Original Paper 01 January 2013 Pages: 1036 - 1042
Diamond hydrocarbons revisited: partitioned formula tables of diamondoids Alexandru T. Balaban Original Paper 04 January 2013 Pages: 1043 - 1055
Dynamics of a stochastic model for continuous flow bioreactor with Contois growth rate Zhenzhen ChenTonghua Zhang Original Paper 06 January 2013 Pages: 1076 - 1091
Enfolded conformational spaces: definition of the chemical quantum mechanical multiverse under Born–Oppenheimer approximation Ramon Carbó-Dorca Original Paper 10 January 2013 Pages: 1092 - 1098
Analysis of the Valley-Ridge inflection points through the partitioning technique of the Hessian eigenvalue equation Josep Maria BofillWolfgang Quapp Original Paper 10 January 2013 Pages: 1099 - 1115
Differential model accounting for reversion for EPDM vulcanized with peroxides G. MilaniF. Milani Original Paper 10 January 2013 Pages: 1116 - 1133