Bond Orders and Energy Components: Extracting Chemical Information from Molecular Wave Functions
Language: English
Published by CRC Press, 2016
- Hardcover
- New

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In English.
Seller Inventory # ria9781420090116_new
- Title
- Bond Orders and Energy Components: Extracting Chemical Information from Molecular Wave Functions
- Author
- Mayer, István
- Publisher
- CRC Press
- Publication year
- 2016
- Condition
- New
- Binding
- Hardcover
- Language
- English
- ISBN 10
- 1420090119
- ISBN 13
- 9781420090116
- Item weight
- 604 grams
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.
"Synopsis" may belong to another edition of this title.
About the Author
Istvan Mayer, he was working three months with the late Professor Per-Olov Lowdin in Gainesville, Florida, and between 1997 and 1999 he had spent three semesters at the Grenoble University, France.
"About the title" may belong to another edition of this title.
Ria Christie Collections
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