✦ LIBER ✦

Closed-shell SCF–CIMO treatment of all-reactive electrons in complex heteroorganic molecules

✍ Scribed by Rifaat Hilal

Publisher: John Wiley and Sons
Year: 1979
Tongue: English
Weight: 520 KB
Volume: 15
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560150105

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

All-electron calculations of open-shell

All-electron calculations of open-shell polyatomic molecules I. SCF wave function in gaussians for methyl and vinyl radicals

✍ Philippe Millie; Gaston Berthier 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 320 KB

All electron calculations of open-shell

All electron calculations of open-shell polyatomic molecules. III. Perturbation treatment of the spin polarization in vinyl and methyl radicals

✍ Philippe Millié; Bernard Lévy; Gaston Berthier 📂 Article 📅 1972 🏛 John Wiley and Sons 🌐 English ⚖ 604 KB

The Sextic Centrifugal Distortion Terms

The Sextic Centrifugal Distortion Terms for an Open-Shell Complex Consisting of a Diatomic Molecule in a 2S+1Σ Electronic State and a Closed-Shell Partner

✍ Wafaa M. Fawzy; Reham M. Reda 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 137 KB

An effective Hamiltonian for calculating rotational energy levels of an open-shell diatomic molecule, in a 2Sϩ1 ⌺ electronic state, weakly bonded to a closed-shell partner was presented (W. M. Fawzy, J. Mol. Spectrosc. 191, 68 -80 (1998)). The Hamiltonian was given as H ϭ H ev ϩ H rot ϩ H sr ϩ H ss