𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio calculations for the ground state of nitrosomethane and the non-vertical n_.π* excitation energy

✍ Scribed by Nikolaus P. Ernsting; Josef Pfab

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
194 KB
Volume
67
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Potential energy curves for ground and e
Potential energy curves for ground and excited states of NaLi from ab initio calculations with effective core polarization potentials
✍ 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

Accurate ab initio calculations for the
Accurate ab initio calculations for the ground states of N2, O2 and F2
✍ Stephen R. Langhoff; Charles W. Bauschlicher Jr.; Peter R. Taylor 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 548 KB

Spectroscopic constants and dissociation energies for the ground states of N2, O2 and F2 determined at the CAS SCF MRCI correlation level are in excellent agreement with experiment when very large primitive valence and polarization one-particle Gaussian basis sets are employed. The dissociation ener