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Bond Orders and Energy Components: Extracting Chemical Information from Molecular Wave Functions - Hardcover

Mayer, Istvn

 
9781420090116: Bond Orders and Energy Components: Extracting Chemical Information from Molecular Wave Functions
Hardcover
ISBN 10: 1420090119 ISBN 13: 9781420090116
Verlag: Taylor & Francis Inc, 2016

Inhaltsangabe

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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Über die Autorin bzw. den Autor

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.

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Verlag
Taylor & Francis Inc
Erscheinungsdatum
2016
Sprache
Englisch
ISBN 10 
1420090119
ISBN 13 
9781420090116
Einband
Gebundene Ausgabe
Auflage
1
Anzahl der Seiten
229
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
Taylor & Francis Verlag GmbH
GPSR@taylorandfrancis.com

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