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Chemical bonding of lanthanides and actinides

Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSN › Chapter

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Chemical bonding of lanthanides and actinides. / Kaltsoyannis, Nikolas; Kerridge, Andrew.
The chemical bond: chemical bonding across the periodic table. ed. / Gernot Frenking; Sason Shaik. Weinheim, Germany: Wiley, 2014. p. 337-356.

Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSN › Chapter

Harvard

Kaltsoyannis, N & Kerridge, A 2014, Chemical bonding of lanthanides and actinides. in G Frenking & S Shaik (eds), The chemical bond: chemical bonding across the periodic table. Wiley, Weinheim, Germany, pp. 337-356. https://doi.org/10.1002/9783527664658.ch11

APA

Kaltsoyannis, N., & Kerridge, A. (2014). Chemical bonding of lanthanides and actinides. In G. Frenking, & S. Shaik (Eds.), The chemical bond: chemical bonding across the periodic table (pp. 337-356). Wiley. https://doi.org/10.1002/9783527664658.ch11

Vancouver

Kaltsoyannis N, Kerridge A. Chemical bonding of lanthanides and actinides. In Frenking G, Shaik S, editors, The chemical bond: chemical bonding across the periodic table. Weinheim, Germany: Wiley. 2014. p. 337-356 doi: 10.1002/9783527664658.ch11

Author

Kaltsoyannis, Nikolas ; Kerridge, Andrew. / Chemical bonding of lanthanides and actinides. The chemical bond: chemical bonding across the periodic table. editor / Gernot Frenking ; Sason Shaik. Weinheim, Germany : Wiley, 2014. pp. 337-356

Bibtex

@inbook{21433f68f3584396a778e068b38d9c68,
title = "Chemical bonding of lanthanides and actinides",
abstract = "This chapter focuses on recent computational studies of the electronic structure and bonding in molecular compounds of the f elements, addressing key chemical concepts such as covalency, electron counting rules, and oxidation state. A brief overview is provided of the technical considerations particular to the f block, after which, several examples of studies employing density functional theory are discussed. These have been chosen specifically to illustrate the application to the f elements of several of the techniques introduced in Volume 1: energy decomposition analysis, the electron localization function (ELF), and the quantum theory of atoms in molecules. Focus then switches to three examples of the application of multi-configurational approaches: U2, the actinyls (AnO2+/2+), and the f block metallocenes (M(η8-C8H8)2). We draw the chapter to a close with some concluding remarks.",
author = "Nikolas Kaltsoyannis and Andrew Kerridge",
year = "2014",
month = may,
day = "30",
doi = "10.1002/9783527664658.ch11",
language = "English",
isbn = "9783527333158",
pages = "337--356",
editor = "Gernot Frenking and Sason Shaik",
booktitle = "The chemical bond",
publisher = "Wiley",

}

RIS

TY - CHAP

T1 - Chemical bonding of lanthanides and actinides

AU - Kaltsoyannis, Nikolas

AU - Kerridge, Andrew

PY - 2014/5/30

Y1 - 2014/5/30

N2 - This chapter focuses on recent computational studies of the electronic structure and bonding in molecular compounds of the f elements, addressing key chemical concepts such as covalency, electron counting rules, and oxidation state. A brief overview is provided of the technical considerations particular to the f block, after which, several examples of studies employing density functional theory are discussed. These have been chosen specifically to illustrate the application to the f elements of several of the techniques introduced in Volume 1: energy decomposition analysis, the electron localization function (ELF), and the quantum theory of atoms in molecules. Focus then switches to three examples of the application of multi-configurational approaches: U2, the actinyls (AnO2+/2+), and the f block metallocenes (M(η8-C8H8)2). We draw the chapter to a close with some concluding remarks.

AB - This chapter focuses on recent computational studies of the electronic structure and bonding in molecular compounds of the f elements, addressing key chemical concepts such as covalency, electron counting rules, and oxidation state. A brief overview is provided of the technical considerations particular to the f block, after which, several examples of studies employing density functional theory are discussed. These have been chosen specifically to illustrate the application to the f elements of several of the techniques introduced in Volume 1: energy decomposition analysis, the electron localization function (ELF), and the quantum theory of atoms in molecules. Focus then switches to three examples of the application of multi-configurational approaches: U2, the actinyls (AnO2+/2+), and the f block metallocenes (M(η8-C8H8)2). We draw the chapter to a close with some concluding remarks.

U2 - 10.1002/9783527664658.ch11

DO - 10.1002/9783527664658.ch11

M3 - Chapter

SN - 9783527333158

SP - 337

EP - 356

BT - The chemical bond

A2 - Frenking, Gernot

A2 - Shaik, Sason

PB - Wiley

CY - Weinheim, Germany

ER -