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This textbook introduces the reader to quantum theory and quantum chemistry. The textbook is meant for 2nd – 3rd year bachelor students of chemistry or physics, but also for …
In the 1980’s sonochemistry was considered to be a rather restricted branch of chemistry mainly involving the ways in which ultrasound could improve synthetic procedures, …
In the 1980’s sonochemistry was considered to be a rather restricted branch of chemistry involving the ways in which ultrasound could improve synthetic procedures, predominantly in …
Numerical methods are the mathematical procedures that approximate the solution of complex mathematical problems into much simpler form and which find a wide variety of use while …
Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for …
Understanding of reaction mechanisms is very important for a chemist since it helps to plan and carry our reactions in a controlled manner. This textbook explains how to elucidate …
Chemische Bindung und Spektroskopie sind sehr wichtige Themen der Chemie. Ein Verständnis von diesen ist nicht ohne ein Verständnis der Quantentheorie möglich, und deswegen ist …