✦ LIBER ✦

Description of Electron Delocalization via the Analysis of Molecular Fields

✍ Scribed by Gabriel Merino; Alberto Vela; Thomas Heine

Publisher: John Wiley and Sons
Year: 2006
Weight: 8 KB
Volume: 37
Category: Article
ISSN: 0931-7597
DOI: 10.1002/chin.200604276

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Implications of Molecular Orbital Symmet

Implications of Molecular Orbital Symmetries and Energies for the Electron Delocalization of Inorganic Clusters

✍ Clémence Corminboeuf; R. Bruce King; Paul von Rague Schleyer 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 387 KB

## Abstract Isostructural clusters exhibit contrasting magnetic properties when the number of electrons differs. Surprisingly, the same is true even for isoelectronic cages (e.g. __O~h~__ B~6~H~6~^2−^ is diatropic, whereas __O~h~__ Si~6~^2−^ is paratropic) or for those with different substitutents

The analysis of field experiments on an

The analysis of field experiments on an electronic computer

✍ Healy, M. J. R. 📂 Article 📅 1959 🏛 Wiley (John Wiley & Sons) ⚖ 299 KB 👁 1 views

Use of electron densities in comparative

Use of electron densities in comparative molecular field analysis (CoMFA): OH bond dissociation energies in phenols

✍ Roy J. Vaz; Michael Edwards; Jian Shen; Robert Pearlstein; Dorothea Kominos 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 252 KB 👁 1 views

The ability to successfully predict the bond dissociation energies of the phenol O᎐H bond is important in medicinal chemistry for a variety of therapeutic applications. Previous reports utilized rigorous approaches with semi-empirical, ab initio and density functional theory, as well as more empiric

Chemical Bonds without Bonding Electron

Chemical Bonds without Bonding Electron Density — Does the Difference Electron-Density Analysis Suffice for a Description of the Chemical Bond?

✍ Priv.-Doz. Dr. Dieter Cremer; Dr. Elfi Kraka 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 287 KB 👁 2 views

State of the Art in the Field of Electro

State of the Art in the Field of Electronic and Bioelectronic Tongues – Towards the Analysis of Wines

✍ Jiri Zeravik; Antonin Hlavacek; Karel Lacina; Petr Skládal 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 309 KB

Correlation of ultraviolet spectra with

Correlation of ultraviolet spectra with structure via the integrated molecular and electronic transforms

✍ Stephen P. Molnar; James W. King 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 154 KB 👁 2 views

The integrated molecular transform FT has been used for the m correlation of the structures of organic molecules with their physicochemical, thermodynamic, and pharmacological properties; it is also an excellent conformation index and functions as a discriminator of classical chemical structure type