✦ LIBER ✦

Ab initio calculations of phosphorus and arsenic clustering parameters for the improvement of process simulation models

✍ Scribed by Beat Sahli; Kilian Vollenweider; Nikolas Zographos; Christoph Zechner

Publisher: Elsevier Science
Year: 2008
Tongue: English
Weight: 914 KB
Volume: 154-155
Category: Article
ISSN: 0921-5107
DOI: 10.1016/j.mseb.2008.09.047

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Simulation of ab initio results for pall

Simulation of ab initio results for palladium and rhodium clusters by tight-binding calculations

✍ G. Berthier; M. Defranceschi; R. Montagnani; O. Salvetti 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 175 KB

Model calculations for surfaces and chem

Model calculations for surfaces and chemisorption processes of zinc-chalcogenide thin films by an ab initio cluster approach

✍ Katalin Tóth; Tapani A. Pakkanen; Pipsa Hirva; Juha Muilu 📂 Article 📅 1992 🏛 Elsevier Science ⚖ 138 KB

Ab initio calculations for Ar2+, He2+ an

Ab initio calculations for Ar2+, He2+ and He3+, of interest for the modelling of ionic rare-gas clusters

✍ Florent Xavier Gadea; Ivana Paidarová 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 685 KB

Ab initio Cluster Calculations for the A

Ab initio Cluster Calculations for the Absorption Energies of F and F+ Centers in Bulk ZnO.

✍ Karin Fink 📂 Article 📅 2005 🏛 John Wiley and Sons ⚖ 8 KB 👁 1 views

Conformational study of the tricyclic se

Conformational study of the tricyclic sesquiterpene β-panasinsene aided by ab initio calculations and simulated 1H NMR parameters

✍ César A. Flores-Sandoval; Carlos M. Cerda-García-Rojas; Pedro Joseph-Nathan 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 166 KB

## Abstract __Ab initio__ calculations of the tricyclic sesquiterpene β‐panasinsene (**1**) provided theoretical H—C—C—H dihedral angles that allowed us to predict the corresponding ^1^H–^1^H vicinal coupling constant values, using a generalized Karplus‐type equation. These values, together with th

An ab initio study of the interaction of

An ab initio study of the interaction of atomic hydrogen with cluster models simulating the (100) and (110) silver surfaces

✍ J.A. Garrido; F. Illas; J.M. Ricart; J. Rubio 📂 Article 📅 1985 🏛 Elsevier Science ⚖ 646 KB