Moments of powers of the Hulthén density M. L. GlasserI. Nagy Brief Communication 13 April 2012 Pages: 1707 - 1710
Multivariate data modelling through Piecewise generalized HDMR method M. Alper TungaMetin Demiralp Original Paper 05 April 2012 Pages: 1711 - 1726
Partition of symmetric powers of G-sets into orbits: application to the enumeration of force constants Emilio Martínez Torres Original Paper 05 April 2012 Pages: 1727 - 1735
Phase fitted symplectic partitioned Runge–Kutta methods for the numerical integration of the Schrödinger equation Th. Monovasilis Original Paper 05 April 2012 Pages: 1736 - 1746
D-MORPH regression for modeling with fewer unknown parameters than observation data Genyuan LiRoberto Rey-de-CastroHerschel Rabitz Original Paper 19 April 2012 Pages: 1747 - 1764
A scalable algorithm for molecular property estimation in high dimensional scaffold-based libraries Sofia IzmailovXiaoJiang FengHerschel Rabitz Original Paper 20 April 2012 Pages: 1765 - 1790
Stereoisograms of trigonal bipyramidal compounds: I. Chirality and RS-stereogenicity free from the conventional “chirality” and “stereogenicity” Shinsaku Fujita Original Paper 13 April 2012 Pages: 1791 - 1814
Stereoisograms of trigonal bipyramidal compounds: II. RS-stereogenicity/RS-stereoisomerism versus stereogenicity/stereoisomerism, leading to a revised interpretation of Berry’s pseudorotation Shinsaku Fujita Original Paper 18 April 2012 Pages: 1815 - 1860
A new hybrid two-step method with vanished phase-lag and its first and second derivatives for the numerical solution of the Schrödinger equation and related problems Ibraheem AlolyanT. E. Simos Original Paper 24 April 2012 Pages: 1861 - 1881
Information-theoretical complexity for the hydrogenic identity S N 2 exchange reaction Moyocoyani Molina-EspírituRodolfo O. EsquivelJesús S. Dehesa Original Paper 21 April 2012 Pages: 1882 - 1900
Scaling laws in simple and complex proteins: size scaling effects associated with domain number and folding class Parker RogersonGustavo A. Arteca Original Paper 21 April 2012 Pages: 1901 - 1919
Approximate analytical solutions of a two-term diatomic molecular potential with centrifugal barrier Altuğ ArdaRamazan Sever Original Paper 18 April 2012 Pages: 1920 - 1930
HOA (Heaviside Operational Ansatz) revisited: recent remarks on novel exact solution methodologies in wavefunction analysis Valentino A. Simpao Original Paper 13 June 2012 Pages: 1931 - 1972
Analytical solutions of Schrödinger equation for the diatomic molecular potentials with any angular momentum Huseyin AkcayRamazan Sever Original Paper 13 April 2012 Pages: 1973 - 1987
Solutions of the Schrödinger equation in the tridiagonal representation with the noncentral electric dipole plus a novel angle-dependent component Guo-Qing Huang-FuMin-Cang Zhang Original Paper 21 April 2012 Pages: 1988 - 2000
Modeling of electrocatalysis at chemically modified electrodes: a combination of second-order and Michaelis-type chemical kinetics Mantas PuidaAlbertas MalinauskasFeliksas Ivanauskas Original Paper 18 April 2012 Pages: 2001 - 2011
Enumeration of polycarborane isomers: especially dicarboranes Vladimir R. RosenfeldDouglas J. KleinJosep M. Oliva Original Paper 26 April 2012 Pages: 2012 - 2022
Combined small scale high dimensional model representation Evrim Korkmaz ÖzayMetin Demiralp Original Paper 26 May 2012 Pages: 2023 - 2042
Classification of nodal pockets in many-electron wave functions via machine learning Erin LeDellPrabhatWilliam A. Lester Jr. Original Paper 22 May 2012 Pages: 2043 - 2050
Calculating probabilities without quadrature J. P. KillingbeckA. Lakhlifi Original Paper 26 April 2012 Pages: 2051 - 2060
