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Bond Orders and Energy Components
- Extracting Chemical Information from Molecular Wave Functions
Engelsk
Bogcover for Bond Orders and Energy Components af Istvan Mayer, 9780367864842
Specifikationer
Sprog:
Engelsk
Sider:
240
ISBN-13:
9780367864842
Indbinding:
Paperback
ISBN-10:
0367864843
Kategori:
Udg. Dato:
13 dec 2021
Størrelse i cm:
23,4 x 15,6
Oplagsdato:
13 dec 2021
Forfatter(e):

Bond Orders and Energy Components

- Extracting Chemical Information from Molecular Wave Functions
Engelsk
Paperback 2021
Format:

Bog beskrivelse

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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Specifikationer
Sprog:
Engelsk
Sider:
240
ISBN-13:
9780367864842
Indbinding:
Paperback
ISBN-10:
0367864843
Kategori:
Udg. Dato:
13 dec 2021
Størrelse i cm:
23,4 x 15,6
Oplagsdato:
13 dec 2021
Forfatter(e):
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