ENGLISH

Quantum-Chemical Calculation of Unique Molecular Systems, Two-Volume Set

By A. K. Haghi , Gennady Efremovich Zaikov , Vladimir A. Babkin

Book information

Publisher
Apple Academic Press,CRC Press
Year
2014
ISBN
978-1-4822-2433-7, 978-1-926895-75-8
DOI
10.1201/b16567
Language
english
Format
PDF
Filesize
5 MB (4836744 bytes)
Series
AAP Research Notes on Chemical Engineering
Pages
674\667
Time added
2014-08-31 08:00:00

Description

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.

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