𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio calculations with effective core potentials on trivalent lanthanide–terpyridine complexes

✍ Scribed by C. Rabbe; V. Mikhalko; J. P. Dognon


Book ID
105886836
Publisher
Springer
Year
2000
Tongue
English
Weight
109 KB
Volume
104
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Use of effective core potentials for ab
✍ Clarke W. Earley 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 996 KB

A series of ab initio electronic structure calculations have been performed on the (H3Si)20 molecule using a range of basis sets. The accuracy of these calculations was evaluated by comparison with several experimental measurements. These calculations support earlier results indicating that polariza

Potential energy curves for ground and e
✍ I. Schmidt-Mink; W. Müller; W. Meyer 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 693 KB

Sixteen low-lying electronx states of NaLi arc investigated by SCF/~alence CI calculations including core polarization effects by means of an effective potential. Spectroscopic constants arc obtained with estimated uncertainties of AR, G 0.01 A, awe E 0.6 cm-' and nD, < 80 cm-' \_ f-rom a comparison