Jeremy Harvey (Professor of Quantum Professor of Quantum Chemistry

Computational Chemistry

• Broschiertes Buch

Produktbeschreibung

The powerful and versatile applications of computational chemistry are covered succinctly and clearly in this primer, making it an ideal introduction for those new to the field.

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Produktdetails

• Oxford Chemistry Primers
• Verlag: Oxford University Press
• Seitenzahl: 152
• Erscheinungstermin: 8. März 2018
• Englisch
• Abmessung: 246mm x 187mm x 10mm
• Gewicht: 312g
• ISBN-13: 9780198755500
• ISBN-10: 0198755503
• Artikelnr.: 51738149

Autorenporträt

Jeremy Harvey studied Chemistry, obtaining his 'Licence' and Doctorate at UC Louvain in Louvain-la-Neuve, Belgium. His doctoral thesis (1995) was in the area of experimental mechanistic organic chemistry. During postdoctoral periods in Germany and Israel, he became increasingly interested in computational chemistry, and since starting his independent research career in Bristol (1999) has worked in this area, mainly using electronic structure theory methods to shed light on experimental observations and to suggest new experiments. In 2014, he moved from Bristol to a position as Professor of Quantum Chemistry at KU Leuven.

Inhaltsangabe

1: Computation and Computers in Chemistry
2: Quantum Chemistry
3: Quantum Chemical Methods
4: Molecular Mechanics Methods
5: Geometry Optimization
6: Dynamics Methods
7: Rate Constants and Equilibria
8: Hybrid and Multi-Scale Methods
9: Conclusions