Computational study of 4d transition metal - Softcover

Kharat, Bhagwat

Softcover

ISBN 10: 3330089849 ISBN 13: 9783330089846

Verlag: LAP LAMBERT Academic Publishing, 2018

Inhaltsangabe

In the field of transition metal cluster chemistry has attracted enormous attention over the last twenty-five years and it continuous to be a rapidly expanding area of chemical research. The great interest stems both from the considerable intellectual challenges posed at the level of pure, fundamental science and from the potential relevance to many aspects of the study of industrial catalysis. However, despite the great interest, which has been shown in the field, many of the fundamental properties of cluster are steel very poorly understood. In particular, synthesizing desired cluster, bonding theories are able to rationalize and even predict cluster geometries and the understanding of chemical properties. Transition metal borides, carbides, nitrides, oxides and fluorides are important and have practical uses, to the best of our knowledge no thorough study of 4d-metal monoborides, monocarbide, mononitride, monoxide, monofluorides, their cation and anion has been carried out so far. We have studied in the optimized geometries, lowest spin state, electron affinity, ionization potential are obtained. Muliken and natural orbital population analysis is also determined.

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Über die Autorin bzw. den Autor

Dr. Bhagwat S. Kharat is Assistant Professor and Head of the Department of physics, Swami Vivekanand College, Mantha, Dist. Jalna. His M. Sc. from Dr. B. A. M. University, Aurangabad and Ph. D. from S. R. T. M. University, Nanded. He is research guide in Physics for Dr. B. A. M. University, Aurangabad. He has 17 years of teaching experience.

Details zur Ausgabe

• Verlag: LAP LAMBERT Academic Publishing
• Erscheinungsdatum: 2018
• Sprache: Englisch
• ISBN 10: 3330089849
• ISBN 13: 9783330089846
• Einband: Taschenbuch
• Anzahl der Seiten: 116
• Kontakt zum Hersteller: Nicht verfügbar
• Verantwortliche Person: Books on Demand GmbH; info@bod.de; ; Überseering 33; Hamburg; 22297; Deutschland