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Computational studies in organometallic chemistry[electronic resource] /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
杜威分類號:	547.05
書名/作者:	Computational studies in organometallic chemistry/ edited by Stuart A. Macgregor, Odile Eisenstein.
其他作者:	Macgregor, Stuart A.
出版者:	Cham : : Springer International Publishing :, 2016.
面頁冊數:	vii, 181 p. : : ill., digital ;; 24 cm.
Contained By:	Springer eBooks
標題:	Organometallic chemistry - Mathematical models.
標題:	Chemistry.
標題:	Organometallic Chemistry.
標題:	Theoretical and Computational Chemistry.
標題:	Inorganic Chemistry.
ISBN:	9783319316383
ISBN:	9783319316369
內容註:	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.
摘要、提要註:	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.
電子資源:	http://dx.doi.org/10.1007/978-3-319-31638-3

Computational studies in organometallic chemistry[electronic resource] /
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 ;142..

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:

646523
Organometallic chemistry
--Mathematical models.

LC Class. No.: QD411

Dewey Class. No.: 547.05

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