Concepts and methods in modern theoretical chemistry

Autore: Swapan Kumar Ghosh Pratim Kumar Chattaraj Casa Editrice: CRC Press  Anno Edizione: 2013 Edizione: 1 ISBN: 9781466506237 Pagine: 856 Costo: 176,10 Euro (*) Materia: Chimica Generale Modelli e Simulazioni Testi stranieri Lingua: Inglese

Written for students at advanced undergraduate and graduate levels, this two-volume set covers all the major areas of research in theoretical chemistry, including the statistical treatment of atoms and molecules. Volume One focuses on the electronic structures and reactivities of atoms and molecules. It begins with a general overview of topics and trends in theoretical chemistry including crystal engineering and computer-aided molecular design, then explores the more popular and successful quantum chemical techniques in use today. Volume Two focuses on the statistical treatment of assemblies of atoms and molecules, including computer simulation methods (both ab initio and classical molecular dynamics). Other topics covered in the text include nonlinear dynamics, bio-inspired chemistry, condensed matter chemistry, and current research trends in magnetism.