Theory Untangles Fascinating Properties of Spiro-Compounds
Theory was instrumental in rationalizing complex photophysical phenomena experimentally observed for a series of spiro-bridged heterotriangulenes in solution and their aggregates.
Tag: dispersion interaction
Benchmark of Semiempirical Methods
What is the best semiempirical method to use for your system? Find out in the most extensive benchmark study.
Details on OMx Methods
Details about theory and implementation of up-to-now most advanced semiempirical quantum-chemical methods are published.