An accurate treatment of electronic spectra in large systems with a technique such as time-dependent density functional theory is computationally challenging. Due to the Nyquist sampling theorem, direct real-time simulations must be prohibitively long to
DSYM-PC is a novel program to simulate HR-NMR-spectra. Modern menue-driven techniques are used to present screen- and graphical output on HP-Laser Printer in HPGL-standard. DSYM-PC is designed for research and teaching.doi:10.1007/978-3-642-75430-2_25S. Goudetsidis...