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Books > Science & Mathematics > Physics > Applied physics & special topics > Chemical physics
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Bond Orders and Energy Components - Extracting Chemical Information from Molecular Wave Functions (Paperback)
Loot Price: R2,313
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Bond Orders and Energy Components - Extracting Chemical Information from Molecular Wave Functions (Paperback)
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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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