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Covalent radii revisited.
A new set of covalent atomic radii has been deduced from crystallographic data for most of the elements with atomic numbers up to 96. The proposed radii show a well behaved periodic dependence that… Expand
A cartography of the van der Waals territories.
- S. Alvarez
- Chemistry, Medicine
- Dalton transactions
- 28 May 2013
The analysis of more than five million interatomic "non-bonded" distances has led to the proposal of a consistent set of van der Waals radii for most naturally occurring elements, and its applicability to other element pairs has been tested. Expand
Continuous symmetry maps and shape classification. The case of six-coordinated metal compounds
A continuous symmetry study of the structures of transition metal six-vertex polyhedra is presented, considering both molecular models and experimental structural data. The concept of symmetry map is… Expand
The rich stereochemistry of eight-vertex polyhedra: a continuous shape measures study.
Reference polyhedra, shape maps, and minimal-distortion interconversion paths are presented for eight-vertex polyhedral and polygonal structures within the CShM framework, and structural classification is shown to be greatly facilitated by these tools. Expand
Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry
The continuous shape measures of homoleptic organometallic compounds of the transition elements relative to the classical coordination polyhedra offer a tool for their accurate stereochemical… Expand
Orbital Interactions in Chemistry. 2nd Edition. By Thomas A. Albright, Jeremy K. Burdett and Myung Hwan Whangbo.
- S. Alvarez
- 25 April 2014
Shape maps and polyhedral interconversion paths in transition metal chemistry
A systematic study of the stereochemistry of the coordination sphere of transition metal compounds has been carried out recently from the point of view of the continuous shape measures (CShM). In… Expand
Minimal distortion pathways in polyhedral rearrangements.
- D. Casanova, J. Cirera, Miquel Llunell, P. Alemany, D. Avnir, S. Alvarez
- Chemistry, Medicine
- Journal of the American Chemical Society
- 23 January 2004
Several commonly used polytopal rearrangement pathways are shown to be in fact minimum distortion pathways: the spread path leading from the tetrahedron to the square, the Berry pseudorotation that interconverts a square pyramid and a trigonal bipyramid, and the Bailar twist for the interconversion of the octahedron and the trigonal prism. Expand
Distortions in octahedrally coordinated d0 transition metal oxides : A continuous symmetry measures approach
- Kang Min Ok and, P. Halasyamani, D. Casanova, Miquel Llunell, and Pere Alemany, S. Alvarez
- Materials Science
- 2 June 2006
More than 750 d0 transition metal oxide octahedra have been examined in order to better understand the out-of-center distortion occurring with these cations. A continuous symmetry measures approach… Expand
Structure and stability of the X3- systems (X = fluoride, chloride, bromide, iodide) and their interaction with cations
The molecular and electronic structure of the trihalide anions as well as their relative stability toward dissociation into a halogen molecule and a halide ion has been studied by full ab initio and… Expand