✦ LIBER ✦

Molecular Geometries by the Extended-Hückel Molecular Orbital Method III: Band-structure calculations

✍ Scribed by Martin Brändle; Gion Calzaferri

Publisher: John Wiley and Sons
Year: 1993
Tongue: German
Weight: 286 KB
Volume: 76
Category: Article
ISSN: 0018-019X
DOI: 10.1002/hlca.19930760621

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Extended Hückel Molecular Orbital Calcul

Extended Hückel Molecular Orbital Calculations for the Bridged Annulenes

✍ Angelo Gavezzotti; Massimo Simonetta 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 German ⚖ 764 KB

## Abstract Extended __Hückel__ molecular orbital calculations have been performed for bridged [10], [12] and [14]annulenes. Orbital energies and wave functions were used to investigate the relative stabilities of different geometries. The theoretical results were also used to reinforce and complem

Synthesis of the pentamethylcyclopentadi

Synthesis of the pentamethylcyclopentadienylruthenium dithiolate complex Cp∗Ru(NO)(dmit). Electrochemical properties and extended Hückel molecular orbital calculations

✍ Huafeng Shen; Robert A. Senter; Simon G. Bott; Michael G. Richmond 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 437 KB

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

ChemInform Abstract: Extension of the Fe

ChemInform Abstract: Extension of the Fenske—Hall Molecular Orbital Approach to Tight-Binding Band Structure Calculations: Bulk and Surface Electronic Structure of MoS2.

✍ A. TAN; S. HARRIS 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 28 KB 👁 2 views

A model study of the growth of crystals

A model study of the growth of crystals consisting of a small number of metal atoms by the Hückel molecular orbital method (I). Addition of One atom to small crystals

✍ Dr. S. P. Delineshev; Prof. G. M. Bliznakov 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 497 KB 👁 1 views

ChemInform Abstract: Molecular Structure

ChemInform Abstract: Molecular Structure of the Aluminum Halides, Al2Cl6, AlCl3, Al2Br6, AlBr3, and AlI3, Obtained by Gas-Phase Electron Diffraction and ab initio Molecular Orbital Calculations.

✍ Kirsten Aarset; Quang Shen; Hanne Thomassen; Alan D. Richardson; Kenneth Hedberg 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 27 KB 👁 1 views