- Chemical and bibliographic databases
- Reference organization
- NMR data treatment
- Modelling and computational studies
- Data fitting through multivariate global analysis
REACTLAB EQUILIBRIA. Getting started to ReactLab EQUILIBRIA.
Introduction to ReactLab EQUILIBRIA to globally fit the formation constants of a host-guest complexation mechanism to multiwavelength absorption measurments collected during and automated equilibrium titration experiment.
HypNMR software may be used to determine equilibrium constants from chemical shifts in NMR spectra.
- Crystallographic data and structure refinement
SHELX-manual . X-ray structure refinement program.