✦ LIBER ✦

Ab Initio Study of Potassium Ion Clusters of Methanol and Acetonitrile and a Systematic Comparison with Hydrated Clusters

✍ Scribed by Islam, M. Saiful; Pethrick, Richard A.; Pugh, David

Book ID: 115517573
Publisher: American Chemical Society
Year: 1998
Tongue: English
Weight: 111 KB
Volume: 102
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp972792y

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab Initio Calculation and Multiphoton Io

Ab Initio Calculation and Multiphoton Ionization Studies of Pyrimidine−(Methanol) n Clusters

✍ Zhang, Bailin; Cai, Yong; Mu, Xiaolan; Lou, Nanquan; Wang, Xiuyan 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 120 KB

Nanotubules of bare boron clusters: Ab i

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

✍ Boustani, I; Quandt, A 📂 Article 📅 1997 🏛 EDP Sciences 🌐 English ⚖ 341 KB

Ab-initio study of free standing TiO2 cl

Ab-initio study of free standing TiO2 clusters: Stability and magnetism

✍ Rana, T. H.; Kumar, Pankaj; Solanki, A. K.; Skomski, R.; Kashyap, A. 📂 Article 📅 2013 🏛 American Institute of Physics 🌐 English ⚖ 698 KB

Systematic ab initio configuration-inter

Systematic ab initio configuration-interaction study of alkali-metal clusters. II. Relation between electronic structure and geometry of small sodium clusters

✍ Bonaić-Koutecký, V.; Fantucci, P.; Koutecký, J. 📂 Article 📅 1988 🏛 The American Physical Society 🌐 English ⚖ 564 KB

Internal Rotation and Intermolecular Vib

Internal Rotation and Intermolecular Vibrations of the Phenol−Methanol Cluster: A Comparison of Spectroscopic Results and Ab Initio Theory

✍ Plützer, Ch.; Jacoby, Ch.; Schmitt, M. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 137 KB

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