𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density Functional Study of Small Neutral and Charged Silver Cluster Hydrides.

✍ Scribed by Shuang Zhao; Zhi-Pan Liu; Zhen-Hua Li; Wen-Ning Wang; Kang-Nian Fan


Publisher
John Wiley and Sons
Year
2006
Weight
8 KB
Volume
37
Category
Article
ISSN
0931-7597

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Density functional study of small molybd
✍ Reinaldo Pis Diez πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 178 KB πŸ‘ 2 views

Small molybdenum clusters up to the tetramer are investigated within the framework of the density functional theory. Both the geometry and the spin state are optimized for the dimer, trimer, and the tetramer. Moreover, all those calculations are followed by a vibrational analysis to discriminate bet

A density functional study of small nick
✍ M. C. Michelini; R. Pis Diez; A. H. Jubert πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 304 KB πŸ‘ 2 views

Small nickel clusters up to the tetramer are investigated within the framework of the local spin density functional theory. Several competitive states are studied for the dimer. Both the geometry and the spin state are optimized for several starting symmetries in the case of the trimer and the tetra

Density functional study of neutral allo
✍ Costas, MarοΏ½a Eugenia; Acevedo-ChοΏ½vez, Rodolfo πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 172 KB πŸ‘ 2 views

Optimized structures and total molecular energy density functional theory calculations for the 14 possible neutral allopurinol tautomers Ε½ . Ε½ . Ε½ . Ε½ . give the decreasing stability order N 1 -HrN 5 -H ) N 2 -HrN 5 -H ) Ε½ . cis-enolicrN 1 -H for the three most stable forms. Several molecular and el

Model potential density functional study
✍ M. Pereiro; D. Baldomir; M. Iglesias; C. Rosales; M. Castro πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 195 KB πŸ‘ 2 views

Small clusters of cobalt atoms, Co n (n ≀ 3), were studied with the aid of the program deMon-KS module release 3.2, which is a density functional theory based method. Self-consistent-field model core potential (MCP) calculations, which describe the core electrons of the cobalt atom, were done in con