Babkin / Zaikov / Haghi Quantum-Chemical Calculation of Unique Molecular Systems, Two-Volume Set

Erscheinungsjahr 2014
ISBN: 978-1-4822-2433-7
Verlag: Taylor & Francis
Format: PDF
Kopierschutz: Adobe DRM (»Systemvoraussetzungen)

E-Book, Englisch, 674 Seiten

Reihe: AAP Research Notes on Chemical Engineering

The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations—the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.

Autoren/Hrsg.

Babkin, Vladimir A.

Zaikov, Gennady Efremovich

Haghi, A. K.

Fachgebiete

• Naturwissenschaften Chemie Physikalische Chemie
• Naturwissenschaften Physik Quantenphysik Kernphysik
• Technische Wissenschaften Verfahrenstechnik | Chemieingenieurwesen | Biotechnologie Verfahrenstechnik, Chemieingenieurwesen