Acerca deste libro electrónico
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system.
Topics covered include:
- Fragmentation methods
- Embedding methods
- Explicitly correlated local electron correlation methods
- Fragment molecular orbital method
- Methods for treating large molecules
This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Descubrir máis
Acerca do autor
Edited by
MARK S. GORDON, Department of Chemistry, Iowa State University, Ames, USA
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.
