๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab initio study of the structural properties of magnesium

โœ Scribed by M.Y. Chou; Marvin L. Cohen


Book ID
107854824
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
299 KB
Volume
57
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


An ab initio study of the stability and
โœ Paul G. Jasien; Clifford E. Dykstra ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 484 KB

Large basis and weIl\_correiated ab initio electronic structure cdlcuiations have been performed on the simple h&(I) salts, h&F2 and Mg2CI,. The electron withdrswing power of the halogens gives rise to significant metal-metal bonding and consequently these as yet unobservccl. univalent salts are cal

Ab initio studies on the structural and
โœ Xin Cui; Jian-Tao Wang; Xi-Xia Liang; Guo-Zhong Zhao ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 921 KB

Based on ab initio total energy calculations, the structural, electronic and magnetic properties of RhH alloy with both cubic and tetrahedral structures are investigated as a function of the volume. It is shown that NaCl-type cubic structure is more stable than the tetrahedral one energetically as o

Ab initio molecular orbital studies for
โœ Peter J. Gardner; Steve R. Preston; Rachel Siertsema; Derek Steele ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 972 KB

## Abstract Using a 6โ€311G\*\* basis set with estimation of correlation energy at the MP2 level, structural and energetic data for 40 molecular species containing magnesium have been calculated. For about half the species studied, further energetic data were obtained using Pople's G2 method. Enthal