Molecular Sophe - An Integrated Computer Simulation Software Suite for the Analysis of CW and Pulsed EPR Spectra

摘要

During the last decade, there have been significant advances in EPR spectroscopy [pulsed EPR, pulsed electron nuclear double resonance (ENDOR), electron spin envelope modulation spectroscopy, pulsed electron electron double resonance (ELDOR) and two-dimensional techniques such as hyperfine sublevel correlation spectroscopy (HYSCORE)] which in conjunction with orientation selective measurements allow both the electronic and geometric structure of metal centres in metalloprotcins, transition metal ion complexes and free radicals to be determined.