𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular orbital studies of TTF and TCNQ dimers by the extended Hückel method

✍ Scribed by A.J. Berlinsky; J.F. Carolan; L. Weiler

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
342 KB
Volume
19
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A study of intermolecular energies in sm
A study of intermolecular energies in small water polymers by the extended hückel method
✍ D.A Zhogolev; I.V Matyash 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 712 KB

Potential curves for several confiirations of polymers consisting of two, thre& five, and six water mo1ecoIe.s have b&n calculated by the extended Hiickel method-. Results for dimers show quaIit&ive agreement with the results of -ab\_initio c&uIauons. The methoopredicts non-additivity of the hydroge

Studies on primary hydrated complexes of
Studies on primary hydrated complexes of the first transition period metal ions by the extended Hückel method
✍ D.A. Zhogolev; B.Kh. Bunyatyan; V.B. Volkov; K.B. Yatsimirskii 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 654 KB

The ene@s of fo;maIion for the aqnocomplexcs of the 3d-transi:ion metal ions with different coordination numbers, II, were czlculatzd using sevcrnl s&s of Tzrametcrs. It is con:luded that, unlike alkali metal and halogen ions, the ions under study display tendency tcward a.hi&er energetic effect in

An extended Hückel molecular orbital app
An extended Hückel molecular orbital approach to the study of the electronic structures and barriers to Syn–Anti interconversion in Syn purine nucleosides
✍ Frank Jordan 📂 Article 📅 1973 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 670 KB

## Abstract The total energy and the electronic properties of some __syn__ purine nucleosides have been determined as a function of the rotation angle around the C–N glycosidic linkage. Invariably, the crystallographic coordinates provide a state lying at or very near the minimum on the potential e