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Computational studies in organometallic chemistry

Author: Stuart A Macgregor; Odile Eisenstein
Publisher: [Cham] : Springer, [2016] ©2016
Series: Structure and bonding, 167.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

The series Structure and Bonding publishes critical Reviews on Topics of Research concerned with chemical structure and bonding.

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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Stuart A Macgregor; Odile Eisenstein
ISBN: 9783319316369 3319316362
OCLC Number: 940933465
Description: vii, 181 pages : illustrations ; 24 cm.
Contents: Modelling and rationalizing organometallic chemistry with computation: where are we? --
Reactivies and electronic properties of boryl ligands --
QM/MM calculations on selectivity in homogenous catalysis --
Realistic simulation of organometallic reactivity in solution by means of first-principles molecular dynamics --
Computation of excited states of transition metal complexes --
d10-ML2 complexes: structure, bonding, and catalytic activity --
The electronics of CH activation by energy decomposition analysis: from transition metals to main-group metals.
Series Title: Structure and bonding, 167.
Responsibility: Stuart A. Macgregor, Odile Eisenstein, editors ; with contributions by N.M.S. Almeida [and 19 others].

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