Química teórica

The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given special …

Chemical formulation can be traced back to Stone Age times, when hunter-gatherers attached flint arrowheads to shafts using a resin made from birch bark and beeswax. Today, formulated preparations ar …

As one of the typical intermolecular interactions, hydrogen-bonding plays a significant role in molecular structure and function. When the hydrogen bond research system is connected with the photon, …

This book provides an extensive review of the theory of transport and recombination properties in semiconductors. The emphasis is placed on electrical and optical techniques. There is a presentation …

In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and compu …

This book describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no a …

This book discusses fragmentation mechanisms of molecules under mass spectrometry conditions and the resulting peaks observed in ESI-MS/MS experiments. The underlying principles are used to understan …

Chromic or colour related phenomena are produced in response to a chemical or physical stimulus. This new edition will update the information on all those areas where chemicals or materials interact …

Quantum tunnelling is one of the strangest phenomena in chemistry, where we see the wave nature of atoms acting in “impossible” ways. By letting molecules pass through the kinetic barrier instead of …

This is a unique book with a different aim from other books on the subject. The idea is to provide readers with the “big picture” first, yet at a level that helps further the study of physical chemis …