Gebundenes Buch

Conceptual Density Functional Theory

Towards a New Chemical Reactivity Theory

Herausgegeben: Liu, Shubin

Beschreibung

This theoretical and computational reference book aims to narrow the gap between theory and experiment and shows the current state of qualitative computational methods rationalizing chemical concepts, as derived from theory and computation.

Autor

Dr. Shubin Liu is a Senior Computational Scientist at the Research Computing Center, University of North Carolina at Chapel Hill. He obtained his Ph.D. degree with Robert G. Parr in 1996 and postdoctoral training with Weitao Yang of Duke University. He has been an independent researcher since 2000, focusing on developing a chemical reactivity theory using density functional theory language. Dr. Shubin Liu has authored over 200 peer-reviewed publications and is recognized in the field by various scientific awards including the Wiley-IJQC Young Investigator Award.

Produktdetails

• Verlag: Wiley-VCH
• Artikelnr. des Verlages: 1134843 000
• 1. Auflage
• Seitenzahl: 720
• Erscheinungstermin: Mai 2022
• Englisch
• Abmessung: 251mm x 177mm x 44mm
• Gewicht: 1642g
• ISBN-13: 9783527348435
• ISBN-10: 3527348433
• Artikelnr.: 62792281