An single program multiple data strategy for calculation of anharmonic vibrations Didier BegueNeil GohaudClaude Pouchan OriginalPaper 10 October 2006 Pages: 197 - 211
Clustering of chemical databases by means of the projection of maximum overlapping sets similarity measurements onto multidimensional spaces Gonzalo Cerruela GarcíaIrene Luque RuizMiguel Ángel Gómez-Nieto OriginalPaper 09 August 2006 Pages: 213 - 231
Interaction dipole moment in Rg–Xe (Rg = He, Ne, Ar, and Kr) heterodiatoms from conventional ab initio and density functional theory calculations Anastasios HaskopoulosGeorge Maroulis OriginalPaper 10 September 2006 Pages: 233 - 241
Numerical solution for the Gross–Pitaevskii equation Wei HuaXueshen LiuPeizhu Ding OriginalPaper 19 September 2006 Pages: 243 - 255
Trigonometrically fitted and exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation Th. MonovasilisZ. KalogiratouT. E. Simos OriginalPaper 10 October 2006 Pages: 257 - 267
The numerical solution of the radial Schrödinger equation via a trigonometrically fitted family of seventh algebraic order Predictor–Corrector methods G. PsihoyiosT. E. Simos OriginalPaper 19 September 2006 Pages: 269 - 293
Properties of star-branched and linear chains in confined space: a computer simulation study Piotr RomiszowskiAndrzej Sikorski OriginalPaper 22 September 2006 Pages: 295 - 303
A four-step exponentially fitted method for the numerical solution of the Schrödinger equation T. E. Simos OriginalPaper 10 September 2006 Pages: 305 - 318
Electronic structure of the organic half-metallic magnet: 2-(5-pyrimidinyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-3-oxoimidazol-1-oxyl Ming-Hu WuWei-Dong Zou OriginalPaper 10 September 2006 Pages: 319 - 325