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Computational Studies in Organometallic Chemistry

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Cover of 'Computational Studies in Organometallic Chemistry'

Table of Contents

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    Book Overview
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    Chapter 147 d10-ML2 Complexes: Structure, Bonding, and Catalytic Activity
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    Chapter 148 Reactivities and Electronic Properties of Boryl Ligands
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    Chapter 151 Computation of Excited States of Transition Metal Complexes
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    Chapter 176 Modelling and Rationalizing Organometallic Chemistry with Computation: Where Are We?
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    Chapter 178 The Electronics of CH Activation by Energy Decomposition Analysis: From Transition Metals to Main-Group Metals
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    Chapter 183 Realistic Simulation of Organometallic Reactivity in Solution by Means of First-Principles Molecular Dynamics
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    Chapter 188 QM/MM Calculations on Selectivity in Homogeneous Catalysis
Attention for Chapter 183: Realistic Simulation of Organometallic Reactivity in Solution by Means of First-Principles Molecular Dynamics
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