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Cundari, T: Computational Organometallic Chemistry

Autor Thomas R. Cundari
en Limba Engleză Paperback – 12 dec 2019
This work provides a how-to approach to the fundamentals, methodologies and dynamics of computational organometallic chemistry, including classical and molecular mechanics (MM), quantum mechanics (QM), and hybrid MM/QM techniques. It demonstrates applications in actinide chemistry, catalysis, main group chemistry, medicine, and organic synthesis.
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Specificații

ISBN-13: 9780367397494
ISBN-10: 0367397498
Pagini: 442
Dimensiuni: 157 x 228 x 25 mm
Greutate: 0.79 kg
Editura: Taylor & Francis Ltd.

Notă biografică

Cundari, Thomas R.

Cuprins

Introduction: computational organometallic chemistry. Methods: molecular mechanics-based methods; quantum methods; hybrid methods. Applications: organic/medicinal chemistry; catalysis; transition metal chemistry; F-element chemistry; main group chemistry.