Computational Chemistry Methods

Ponnadurai Ramasami

ISBN 10: 3110629062 / ISBN 13: 9783110629064

Editore: De Gruyter, Mercury Learning And Information Aug 2024, 2024

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This item is printed on demand - it takes 3-4 days longer - Neuware -This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms. 196 pp. Englisch.

Codice articolo 9783110629064

Dati bibliografici

• Titolo: Computational Chemistry Methods
• Editore: De Gruyter, Mercury Learning And Information Aug 2024
• Data di pubblicazione: 2024
• Lingua: Inglese
• ISBN 10: 3110629062
• ISBN 13: 9783110629064
• Rilegatura: Buch
• Condizione: Neu
• Dimensioni: 246 L x 175 A x 18 P (millimetri) 246 millimetri di larghezza per 175 millimetri di altezza per 18 millimetri di profondità
• Peso: 561 grammi

Descrizione articolo

Riassunto

This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.

Informazioni sull?autore

Prof Ponnadurai Ramasami, CSci, CChem, FRSC, FICCE, MMast, received his PhD in Physical Chemistry and became full Professor in 2013. He leads the Computational Chemistry Group, Department of Chemistry, Faculty of Science at the University of Mauritius. The research group focuses on the use of computational methods to solve chemistry and interdisciplinary problems. The group is particularly interested to collaborate with experimentalists and try to use computational methods to complement experimental research. He has already published 260 research papers in peer-reviewed journals and he has edited several books. He is the chairman of the annual Virtual Conference on Chemistry and its Applications.