Search Results for "open-shell"

VectorAlgebra is a Mathematica-package which implements various functions for simple vector calculations in d-dimensional spaces with constant metrics.

Keywords: -simultaneously fit several SAXS and SANS data sets with polydisperse (Schultz-Zimm or Gaussian distribution f(R)) spherical core-shell-shell nanoparticles -analytical expressions are used for from factor F(Q) and its integral over f(R), no numerical integration required -absolute units -Mathematica is required via console (MathKernel) -Mathematica's local and global optimizers (simulated annealing, differential evolution, Nelder-Mead, ...) can be used -range for fit parameters and further constraints between fit parameters are possible -Monodisperse(!) ...

Maximum packing densities for individual, polydisperse (diameter), ellipitic platelets and stacks of them (max 5 platelets per stack implemented). Size fractionating for stacks (platelets with diameters below a cut-off diameter remain as individual platelets all others assemble in stacks) can be included. Considers only hard interactions and assumes spherical exclusion volumes.

WITM, is an acronym for Web Interface To Mathematica. WITM allows a workstation running Mathematica and a web server to be accessed from any browser. Care was taken to ensure WITM works well with handheld devices such as PDAs.