Keywords
Related Publications
Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density
Abstract In the Hirshfeld partitioning of the electron density, the molecular electron density is decomposed in atomic contributions, proportional to the weight of the isolated ...
Chemisorption bonding, site preference, and chain formation at the K/Si(001)<i>2×1</i>interface
A variety of possible chemisorption models has been investigated for the K/Si(001)2×1 interface by use of the local-density formalism and the discrete variational method to carr...
Calculation of the average properties of atoms in molecules. II
Abstract This article describes an algorithm for the calculation of the average properties of an atom in a molecule. The atom is defined within the topological theory of molecul...
The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy
Atomic Imaging Within Adsorbed Molecules Scanning tunneling microscopy provides atomic resolution images of surfaces and adsorbed atoms, but imaging atoms within an organic mole...
Publication Info
- Year
- 1998
- Type
- article
- Volume
- 108
- Issue
- 2-3
- Pages
- 180-190
- Citations
- 104
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1016/s0010-4655(97)00121-5