Bond Orders and Energy Components

Extracting Chemical Information from Molecular Wave Functions

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical
Cover of the book Bond Orders and Energy Components by István Mayer, CRC Press
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: István Mayer ISBN: 9781315357201
Publisher: CRC Press Publication: October 14, 2016
Imprint: CRC Press Language: English
Author: István Mayer
ISBN: 9781315357201
Publisher: CRC Press
Publication: October 14, 2016
Imprint: CRC Press
Language: English

While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.

More books from CRC Press

Cover of the book Bioengineering and Biophysical Aspects of Electromagnetic Fields, Fourth Edition by István Mayer
Cover of the book Understanding Real Analysis by István Mayer
Cover of the book Speed, Data, and Ecosystems by István Mayer
Cover of the book Animating with Stop Motion Pro by István Mayer
Cover of the book Site Surveying and Levelling by István Mayer
Cover of the book Vitamins In Human Biology and Medicine (1981) by István Mayer
Cover of the book Distributed Systems by István Mayer
Cover of the book How to Cheat in Adobe Flash CS5 by István Mayer
Cover of the book blogdown by István Mayer
Cover of the book Planning and Design of Engineering Systems by István Mayer
Cover of the book Core Software Security by István Mayer
Cover of the book Glossary of Biotechnology & Agrobiotechnology Terms by István Mayer
Cover of the book Energetic Materials by István Mayer
Cover of the book Immobilized Cells and Organelles by István Mayer
Cover of the book Faber & Kell's Heating and Air-Conditioning of Buildings by István Mayer
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy