Main Principles and Applications of Quantum Chemistry

Principles and Applications of Quantum Chemistry

,
0 / 0
How much do you like this book?
What’s the quality of the file?
Download the book for quality assessment
What’s the quality of the downloaded files?
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules.
  • Simplified mathematical content and derivations for reader understanding
  • Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT)
  • Accessible level for students and researchers interested in the use of quantum chemistry tools
Year:
2016
Edition:
1
Publisher:
Academic Press is an imprint of Elsevier
Language:
english
Pages:
478 / 453
ISBN 10:
0128035013
ISBN 13:
9780128035016
File:
PDF, 10.20 MB
Download (pdf, 10.20 MB)

You may be interested in Powered by Rec2Me

 

Most frequently terms

 
0 comments
 

You can write a book review and share your experiences. Other readers will always be interested in your opinion of the books you've read. Whether you've loved the book or not, if you give your honest and detailed thoughts then people will find new books that are right for them.