This international workshop on quantum chemistry brought together some of the world's best research workers in the field. Their papers address classical quantum chemical concepts as well as the newest aspects and trends, and describe quantum chemical applications to a large variety of problems.
KlappentextThe authors introduce the concept of Molecular Quantum Similarity, developed in their laboratory, in a didactic form. The basis of the concept combines quantum theoretical calculations with molecular structure and properties even for large molecules. They give definitions and procedures to compute similarities molecules and provide graphical tools for visualization of sets of molecules as n-dimensional point charts.