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Bond Orders And Energy Components Extracting Chemical Information From Molecular Wave Functions Mayer

  • SKU: BELL-10303774
Bond Orders And Energy Components Extracting Chemical Information From Molecular Wave Functions Mayer
$ 31.00 $ 45.00 (-31%)

4.7

96 reviews

Bond Orders And Energy Components Extracting Chemical Information From Molecular Wave Functions Mayer instant download after payment.

Publisher: CRC Press
File Extension: PDF
File size: 2.31 MB
Pages: 229
Author: Mayer, István
ISBN: 9781420090116, 9781420090123, 1420090119, 1420090127
Language: English
Year: 2017

Product desciption

Bond Orders And Energy Components Extracting Chemical Information From Molecular Wave Functions Mayer by Mayer, István 9781420090116, 9781420090123, 1420090119, 1420090127 instant download after payment.

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.

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