𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Interaction between photoexcited aqua-uranyl (VI) and perchlorate

✍ Scribed by M.D. Marcantonatos; M. Deschaux; F. Celardin; M. Levental


Book ID
107732182
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
466 KB
Volume
65
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ground- and excited-state interaction be
✍ M.D. Marcantonatos; M. Deschaux; F. Celardin πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 551 KB

Rcccned 1-l Scptembcr 1979 Photoc\cwd (UOa NO; )aq IS shoan to have dtfferent structure and thermodynamx formatton functtons from goundstate wozNo~),q and diffcrcnt photophpslwl nna photochemlcal parameters from UO~~a,> Results are dlscussed ulth relatron to the electron-transicr nature of the lo\%e

Effects of the self-interaction error in
✍ Raghunathan Ramakrishnan; Alexei V. Matveev; Notker RΓΆsch πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier 🌐 English βš– 359 KB

Using the LCGTO-DFT + U methodology, we analyze the potential effect of self-interaction artifacts in standard Kohn-Sham (KS) density functional calculations on geometries, vibrational frequencies, and bonding for the example of the uranyl (VI) dication, both without and with explicit aqua ligands.