Transuranic computational chemistry
Creators
- 1. School of Chemistry, The University of Manchester (United Kingdom)
Description
Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)
Availability note (English)
Available from: http://dx.doi.org/10.1002/chem.201704445Additional details
Identifiers
Publishing Information
- Journal Title
- Chemistry (Weinheim. Internet)
- Journal Volume
- 24
- Journal Issue
- 12
- Journal Page Range
- p. 2815-2825
- ISSN
- 1521-3765
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- Germany
- INIS RN
- 49076354
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S38: RADIATION CHEMISTRY, RADIOCHEMISTRY AND NUCLEAR CHEMISTRY;
- Descriptors DEI
- CHEMICAL BONDS; CHEMISTRY; COMPUTER CALCULATIONS; DENSITY FUNCTIONAL METHOD; ORGANOMETALLIC COMPOUNDS; TRANSURANIUM COMPOUNDS; VALENCE
- Descriptors DEC
- CALCULATION METHODS; ORGANIC COMPOUNDS; VARIATIONAL METHODS
Optional Information
- Notes
- With 11 figs., 1 tab., 61 refs.