Structure and Bonding - Computational Studies in Organometallic Chemistry
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Published By Springer International Publishing

9783319316369, 9783319316383

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Modelling and Rationalizing Organometallic Chemistry with Computation: Where Are We?

Structure and Bonding - Computational Studies in Organometallic Chemistry ◽

10.1007/430_2015_176 ◽

2015 ◽

pp. 1-37 ◽

Cited By ~ 11

Author(s):

Lionel Perrin ◽

Kevin J. T. Carr ◽

David McKay ◽

Claire L. McMullin ◽

Stuart A. Macgregor ◽

...

Keyword(s):

Organometallic Chemistry

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Realistic Simulation of Organometallic Reactivity in Solution by Means of First-Principles Molecular Dynamics

Structure and Bonding - Computational Studies in Organometallic Chemistry ◽

10.1007/430_2015_183 ◽

2015 ◽

pp. 81-106 ◽

Cited By ~ 6

Author(s):

Pietro Vidossich ◽

Agustí Lledós ◽

Gregori Ujaque

Keyword(s):

Molecular Dynamics ◽

First Principles ◽

Realistic Simulation ◽

First Principles Molecular Dynamics

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QM/MM Calculations on Selectivity in Homogeneous Catalysis

Structure and Bonding - Computational Studies in Organometallic Chemistry ◽

10.1007/430_2015_188 ◽

2015 ◽

pp. 59-79 ◽

Cited By ~ 5

Author(s):

Jesús Jover ◽

Feliu Maseras

Keyword(s):

Homogeneous Catalysis

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The Electronics of CH Activation by Energy Decomposition Analysis: From Transition Metals to Main-Group Metals

Structure and Bonding - Computational Studies in Organometallic Chemistry ◽

10.1007/430_2015_178 ◽

2015 ◽

pp. 163-178 ◽

Cited By ~ 3

Author(s):

Clinton R. King ◽

Samantha J. Gustafson ◽

Daniel H. Ess

Keyword(s):

Transition Metals ◽

Decomposition Analysis ◽

Main Group ◽

Energy Decomposition Analysis ◽

Energy Decomposition ◽

Main Group Metals ◽

Ch Activation

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Computation of Excited States of Transition Metal Complexes

Structure and Bonding - Computational Studies in Organometallic Chemistry ◽

10.1007/430_2014_151 ◽

2014 ◽

pp. 107-138 ◽

Cited By ~ 6

Author(s):

Nuno M. S. Almeida ◽

Russell G. McKinlay ◽

Martin J. Paterson

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Excited States ◽

Transition Metal Complexes

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d10-ML2 Complexes: Structure, Bonding, and Catalytic Activity

Structure and Bonding - Computational Studies in Organometallic Chemistry ◽

10.1007/430_2014_147 ◽

2014 ◽

pp. 139-161

Author(s):

Lando P. Wolters ◽

F. Matthias Bickelhaupt

Keyword(s):

Catalytic Activity

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Reactivities and Electronic Properties of Boryl Ligands

Structure and Bonding - Computational Studies in Organometallic Chemistry ◽

10.1007/430_2014_148 ◽

2014 ◽

pp. 39-58 ◽

Cited By ~ 2

Author(s):

Zhenyang Lin

Keyword(s):

Electronic Properties

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Structure and Bonding - Computational Studies in Organometallic ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer International Publishing

Modelling and Rationalizing Organometallic Chemistry with Computation: Where Are We?

Realistic Simulation of Organometallic Reactivity in Solution by Means of First-Principles Molecular Dynamics

QM/MM Calculations on Selectivity in Homogeneous Catalysis

The Electronics of CH Activation by Energy Decomposition Analysis: From Transition Metals to Main-Group Metals

Computation of Excited States of Transition Metal Complexes

d10-ML2 Complexes: Structure, Bonding, and Catalytic Activity

Reactivities and Electronic Properties of Boryl Ligands

Structure and Bonding - Computational Studies in Organometallic Chemistry
Latest Publications