✦ LIBER ✦

Retrieving interaction potentials from the topology of the electron density distribution: The case of hydrogen bonds

✍ Scribed by Espinosa, E.; Molins, E.

Book ID: 111957998
Publisher: American Institute of Physics
Year: 2000
Tongue: English
Weight: 347 KB
Volume: 113
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1290612

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Bonding features in endohedral metallofu

Bonding features in endohedral metallofullerenes. Topological analysis of the electron density distribution

✍ Kaoru Kobayashi; Shigeru Nagase 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 301 KB

SiO and GeO bonded interactions as infer

SiO and GeO bonded interactions as inferred from the bond critical point properties of electron density distributions

✍ G. V. Gibbs; M. B. Boisen; F. C. Hill; O. Tamada; R. T. Downs 📂 Article 📅 1998 🏛 Springer-Verlag 🌐 English ⚖ 269 KB

The Quantum Theory of Atoms in Molecules

The Quantum Theory of Atoms in Molecules || Topological Properties of the Electron Distribution in Hydrogen-bonded Systems

✍ Matta, ChÃ©rif F.; Boyd, Russell J. 📂 Article 📅 2007 🏛 Wiley-VCH Verlag GmbH & Co. KGaA ⚖ 253 KB 👁 2 views

Electron density topological analysis of

Electron density topological analysis of the C–H⋯O anti-hydrogen bond in the fluoroform–oxirane complex

✍ E Cubero; M Orozco; F.J Luque 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 228 KB

Electron-Density Distribution in the Bon

Electron-Density Distribution in the Bonds of a Dewar Benzene Derivative

✍ Irngartinger, Hermann ;Deuter, Juurgen 📂 Article 📅 1990 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 305 KB 👁 2 views

Does electron density in bond critical p

Does electron density in bond critical point reflect the formal charge distribution in H-bridges? The case of charge-assisted hydrogen bonds (CAHBs)

✍ Barbara Bankiewicz; Marcin Palusiak 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 703 KB

The charge-assisted hydrogen bond (CAHB) was investigated for a set of H-bridges of N-HÁ Á ÁCl type. The properties of these bonds, i.e. interaction energy and electron density measured in a specific point of the bond, were represented as functions of HÁ Á ÁCl distance. It appears that the energy of