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Computational Organometallic Chemistry

Autor Thomas R. Cundari
en Limba Engleză Paperback – 13 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: 152 x 229 x 25 mm
Greutate: 0.79 kg
Ediția:1
Editura: CRC Press
Colecția CRC Press

Public țintă

Professional Practice & Development

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.

Descriere

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.