✦ LIBER ✦

Nanotubules of bare boron clusters: Ab initio and density functional study

✍ Scribed by Boustani, I; Quandt, A

Book ID: 121446865
Publisher: EDP Sciences
Year: 1997
Tongue: English
Weight: 341 KB
Volume: 39
Category: Article
ISSN: 0295-5075
DOI: 10.1209/epl/i1997-00388-9

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Interaction of NO molecules with Pd clus

Interaction of NO molecules with Pd clusters: Ab initio density–functional study

✍ Robert Grybos; Lubomir Benco; Tomas Bučko; Jürgen Hafner 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 573 KB

## Abstract The adsorption of NO molecules on small Pd~__n__~ (__n__ = 1−6) clusters has been studied using first‐principles density‐functional theory. Three adsorption sites were considered: vertex (on–top), bridge, and hollow. Adsorption is strong, ranging from 2 to 3 eV. In all cases NO adsorbs

Ab initio MO study of neutral and cation

Ab initio MO study of neutral and cationic boron clusters

✍ Hiroshi Kato; Koichi Yamashita; Keiji Morokuma 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 295 KB

Ab initio and density functional study o

Ab initio and density functional study of azidoacetone

✍ M.I. Catarino; B.J.Costa Cabral; M.L. Costa 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 610 KB

ChemInform Abstract: Ab initio and Densi

ChemInform Abstract: Ab initio and Density Functional Electronic Structure Study of Molybdenum Oxide Clusters

✍ Athanassios C. Tsipis 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 28 KB 👁 3 views

Density functional and ab initio study o

Density functional and ab initio study of the free radical MgNC

✍ Martina Kieninger; Kenneth Irving; F. Rivas-Silva; Alejandro Palma; Oscar N. Ven 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 767 KB

Ab-initio density functional study of de

Ab-initio density functional study of defect-free and defective CdO

✍ R. Ferro; J. A. Rodríguez; M. Verstraete; V. Solomko; P. Bertrand 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 82 KB