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 Invasive Stink Bugs and Related Species (Pentatomoidea) by István Mayer
Cover of the book Bioengineering and Biophysical Aspects of Electromagnetic Fields, Fourth Edition by István Mayer
Cover of the book Constrained Optimization In The Calculus Of Variations and Optimal Control Theory by István Mayer
Cover of the book Introduction to Unmanned Aircraft Systems by István Mayer
Cover of the book Lycopene and Tomatoes in Human Nutrition and Health by István Mayer
Cover of the book Law of Estate Agency by István Mayer
Cover of the book General Practice Today by István Mayer
Cover of the book Geometrical and Statistical Methods of Analysis of Star Configurations Dating Ptolemy's Almagest by István Mayer
Cover of the book Aircrew Security by István Mayer
Cover of the book Finite Element Modeling and Simulation with ANSYS Workbench, Second Edition by István Mayer
Cover of the book Magnesium: From Resources to Production by István Mayer
Cover of the book Constitutive Models for Rubber X by István Mayer
Cover of the book Trends in the Analysis and Design of Marine Structures by István Mayer
Cover of the book Statistical Analysis of Reliability and Life-Testing Models by István Mayer
Cover of the book Photonic Signal Processing, Second Edition 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