𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Recent work in the molecular-orbital theory of surface states

✍ Scribed by Sydney G. Davison

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
472 KB
Volume
2
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Molecular orbital theory of the hydrogen
Molecular orbital theory of the hydrogen bond. 25. Water–uracil complexes in excited n β†’ Ο€ states
✍ Janet E. Del Bene πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 602 KB

Hydrogen bonding of uracil with water in excited nx\* states has been investigated by means of ab initio SCF-CI calculations on uracil and water-uracil complexes. Two low-energy excited states arise from n -T\* transitions in uracil. The first is due to excitation of the C4-O group, while the second

Calculation of the equation of state and
Calculation of the equation of state and elastic moduli of MgO using molecular orbital theory
✍ C. A. McCammon; T. H. Brown; E. P. Meagher πŸ“‚ Article πŸ“… 1991 πŸ› Springer-Verlag 🌐 English βš– 729 KB

The success of molecu]ar orbital theory in calculating crystal properties such as bond lengths and atomic force constants has been well documented in the literature. Calculations can be extended to crystals under simulated compression and strain to determine elastic moduli and their pressure derivat