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CRC Press Bond Orders and Energy Components: Extracting Chemical Information from Molecular Wave Functions

Name: Bond Orders and Energy Components: Extracting Chemical Information from Molecular Wave Functions
Brand: CRC Press
Price: 125.0 GBP
Availability: InStock

Physical Chemistry

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Description

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.

Product Specifications

Brand: CRC Press
Format: hardcover
ASIN: 1420090119
Category: Books > Subjects > Science, Nature & Maths > Chemistry > Physical Chemistry
Domain: Amazon UK
Release Date: 05 January 2016
Listed Since: 23 May 2008

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CRC Press Bond Orders and Energy Components: Extracting Chemical Information from Molecular Wave Functions

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