Wolfram Koch Books

"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!"Paul von Rague Schleyer"A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practioneers who aim to use DFT to solve chemical problems."J. F. Stanton, J. Am. Chem. Soc."The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably."P. C. H. Mitchell, Appl. Organomet. Chem."The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems."M. Kaupp, Angew. Chem.

At first the prisoner scratches at the walls until her fingers bleed. But there is no escaping the room. With no way of measuring time, her days, weeks, months go unrecorded. She vows not to go mad. She will not give her captors the satisfaction. She will die first. *** Copenhagen detective Carl Mørck has been taken off homicide to run a newly created department for unsolved crimes. His first case concerns Merete Lynggaard, who vanished five years ago. Everyone says she's dead. Everyone says it's a waste of time. He thinks they're right. *** The voice in the dark is distorted, harsh and without mercy. It says the prisoner's torture will only end when she answers one simple question. It is one she has asked herself a million times: WHY is this happening?