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Computational studies in organometal...

Macgregor, Stuart A.

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Computational studies in organometallic chemistry

Record Type:	Electronic resources : Monograph/item
Title/Author:	Computational studies in organometallic chemistry/ edited by Stuart A. Macgregor, Odile Eisenstein.
other author:	Macgregor, Stuart A.
Published:	Cham :Springer International Publishing : : 2016.,
Description:	vii, 181 p. :ill., digital ;24 cm.
[NT 15003449]:	D10-ML2 Complexes: Structure, Bonding and Catalytic Activity -- Computation of Excited States of Transition Metal Complexes -- Reactivities and Electronic Properties of Boryl Ligands -- QM/MM studies in Organometallic Chemistry -- Dynamic Studies in Organometallic Chemistry -- CH activation, from transition metal to main group systems -- Computation and experiment into alignment in Organometallic Chemistry: Are we there.
Contained By:	Springer eBooks
Subject:	Organometallic chemistry - Mathematical models. -
Online resource:	http://dx.doi.org/10.1007/978-3-319-31638-3
ISBN:	9783319316383

Computational studies in organometallic chemistry
Computational studies in organometallic chemistry[electronic resource] /edited by Stuart A. Macgregor, Odile Eisenstein. - Cham :Springer International Publishing :2016. - vii, 181 p. :ill., digital ;24 cm. - Structure and bonding,1670081-5993 ;. - Structure and bonding ;26.

D10-ML2 Complexes: Structure, Bonding and Catalytic Activity -- Computation of Excited States of Transition Metal Complexes -- Reactivities and Electronic Properties of Boryl Ligands -- QM/MM studies in Organometallic Chemistry -- Dynamic Studies in Organometallic Chemistry -- CH activation, from transition metal to main group systems -- Computation and experiment into alignment in Organometallic Chemistry: Are we there.

The series Structure and bonding publishes critical Reviews on Topics of Research concerned with chemical Structure and bonding. The scope of the series spans the entire Periodic Table and addresses Structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed.

ISBN: 9783319316383

Standard No.: 10.1007/978-3-319-31638-3doiSubjects--Topical Terms:

2194779
Organometallic chemistry
--Mathematical models.

LC Class. No.: QD411

Dewey Class. No.: 547.05

Computational studies in organometallic chemistry
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245 0 0 $a Computational studies in organometallic chemistry $h [electronic resource] / $c edited by Stuart A. Macgregor, Odile Eisenstein.
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505 0 $a D10-ML2 Complexes: Structure, Bonding and Catalytic Activity -- Computation of Excited States of Transition Metal Complexes -- Reactivities and Electronic Properties of Boryl Ligands -- QM/MM studies in Organometallic Chemistry -- Dynamic Studies in Organometallic Chemistry -- CH activation, from transition metal to main group systems -- Computation and experiment into alignment in Organometallic Chemistry: Are we there.
520 $a The series Structure and bonding publishes critical Reviews on Topics of Research concerned with chemical Structure and bonding. The scope of the series spans the entire Periodic Table and addresses Structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed.
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650 2 4 $a Organometallic Chemistry. $3 892407
650 2 4 $a Theoretical and Computational Chemistry. $3 890863
650 2 4 $a Inorganic Chemistry. $3 890827
700 1 $a Macgregor, Stuart A. $3 2194777
700 1 $a Eisenstein, Odile. $3 2194778
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830 0 $a Structure and bonding ; $v 26 $3 1529966
856 4 0 $u http://dx.doi.org/10.1007/978-3-319-31638-3
950 $a Chemistry and Materials Science (Springer-11644)