𝔖 Bobbio Scriptorium
✦   LIBER   ✦

EXTENSION OF ENERGY DENSITY ANALYSIS TO TREATING CHEMICAL BONDS IN MOLECULES

✍ Scribed by NAKAI, HIROMI; KIKUCHI, YASUAKI


Book ID
120892228
Publisher
World Scientific Publishing Company
Year
2005
Tongue
English
Weight
324 KB
Volume
04
Category
Article
ISSN
0219-6336

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Topological analysis of electron density
✍ Llusar, Rosa; BeltrοΏ½n, Armando; AndrοΏ½s, Juan; Noury, StοΏ½phane; Silvi, Bernard πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 227 KB πŸ‘ 1 views

Except for the case of van der Waals interactions, homopolar bonds are covalent and therefore a concentration of the electron density is expected at the bond midpoint. Many experimental and theoretical studies have reported standard deformation density maps and molecular density minus spherical atom

Chemical bonding in view of electron cha
✍ Heiko Jacobsen πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 238 KB

## Abstract Stalke's dilemma, stating that different chemical interpretations are obtained when one and the same density is interpreted either by means of natural bond orbital (NBO) and subsequent natural resonance theory (NRT) application or by the quantum theory of atoms in molecules (QTAIM), is