✦ LIBER ✦

Natural hybrid orbitals: Ab Initio SCF and CI Results for CO and NiCO

✍ Scribed by A. B. Rives; F. Weinhold

Book ID: 104580544
Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 66 KB
Volume: 20
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560200859

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Natural hybrid orbitals: Ab initio SCF a

Natural hybrid orbitals: Ab initio SCF and CI results for CO and NiCO

✍ A. B. Rives; F. Weinhold 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 431 KB

Ab initio scf and ci study of the electr

Ab initio scf and ci study of the electronic structure of BH3CO

✍ Tae-Kyu Ha 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 637 KB

Ab initio unrestricted Hartree–Fock (UHF

Ab initio unrestricted Hartree–Fock (UHF) and UHF–natural orbital CI studies of ozone

✍ Kizashi Yamaguchi 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 296 KB

## Abstract The electronic structures of both the ground and excited states of ozone (O~3~) are investigated by the __ab initio__ unrestricted Hartree–Fock (UHF) and UHF‐natural orbital (NO) CI methods. It is found that the __ab initio__ UHF‐NO CI method provides reasonable descriptions of both the

Photoelectron Spectra, Ab Initio SCF MO,

Photoelectron Spectra, Ab Initio SCF MO, and Natural Bond Orbital Studies on Stellenes. Long-Range π/σ Interactions

✍ Gleiter, Rolf; Lange, Holger; Borzyk, Oliver 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 254 KB

Potential energy surfaces of cyclobutadi

Potential energy surfaces of cyclobutadiene: ab initio SCF and CI calculations for the low-lying singlet and triplet states

✍ Jafri, J. A.; Newton, M. D. 📂 Article 📅 1978 🏛 American Chemical Society 🌐 English ⚖ 834 KB

Ab initio MRD-CI calculations for the pr

Ab initio MRD-CI calculations for the propagation step of cationic polymerization of oxetanes based on localized orbitals

✍ Joyce J. Kaufman; P. C. Hariharan; Phillip B. Keegstra 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 881 KB