Computational Quantum Chemistry: Molecular Structure and Properties In Silico
Joseph J W McDouall
nov. de 2015 · Theoretical and Computational Chemistry Series Libro 5 · Royal Society of Chemistry
Libro electrónico
292
Páxinas
reportAs valoracións e as recensións non están verificadas Máis información
Acerca deste libro electrónico
Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.
Valora este libro electrónico
Dános a túa opinión.
Información de lectura
Smartphones e tabletas
Instala a aplicación Google Play Libros para Android e iPad/iPhone. Sincronízase automaticamente coa túa conta e permíteche ler contido en liña ou sen conexión desde calquera lugar.
Portátiles e ordenadores de escritorio
Podes escoitar os audiolibros comprados en Google Play a través do navegador web do ordenador.
Lectores de libros electrónicos e outros dispositivos
Para ler contido en dispositivos de tinta electrónica, como os lectores de libros electrónicos Kobo, é necesario descargar un ficheiro e transferilo ao dispositivo. Sigue as instrucións detalladas do Centro de Axuda para transferir ficheiros a lectores electrónicos admitidos.
