✦ LIBER ✦

On the electronic structure of spheroidal molecules

✍ Scribed by L. Scheire; P. Phariseau

Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 330 KB
Volume: 8
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560080813

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

On the electronic structure of polyatomi

On the electronic structure of polyatomic molecules

✍ L. Scheire; P. Phariseau 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 209 KB

In this paper we extend the well-known MS Xa method for the calculation of the electronic structure of molecules enclosed in the Watson-sphere to the case of an arbitrarily shaped outer surface. A general formalism is discussed. In r&ent years considerable progress has been made in calculating the

The electronic structure of ionised mole

The electronic structure of ionised molecules—VIII: Ethylamine

✍ C. Krier; J. C. Lorquet; A. Berlingin 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 843 KB

## Abstract Wavefunctions for the [C~2~H~5~NH~2~]^+^˙ ion in its electronic ground state have been calculated by two variants of the CNDO method. The potential energy surface, the reaction paths, the charge distribution and the overlap populations have been calculated as functions of the internucle

The electronic structure of molecules ha

The electronic structure of molecules having arbitrary boundaries

✍ L. Scheire; P. Phariseau 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 531 KB

## Abstract In this paper we discuss an extension of the standard multiple scattered wave method for molecular electronic structure calculations to the case of arbitrarily shaped molecules. A general theory is presented where the difficulties arising from the matching problem across an arbitrary bo

Electronic shell structure and metal clu

Electronic shell structure and metal clusters: the self-consistent spheroidal jellium model

✍ Z. Penzar; W. Ekardt 📂 Article 📅 1990 🏛 Springer 🌐 English ⚖ 531 KB

The electronic structure of the BrF3 and

The electronic structure of the BrF3 and BrF5 molecules

✍ G.L Gutzev; A.E. Smolyar 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 291 KB

m final form 9 Notember 1979 lontzatton potenttats of the BrFs and BrFs molecules have been calculated by the SCF DV XCK method. The caiculattons hare been carrted out tn numertwl Hartree-Fock basts sets, or, to be more spectftc. m bases that are extenstons of these bases smce "mutual" bromine Id-fu

Electronic structure calculations for mo

Electronic structure calculations for molecules adsorbed on the surface of ionic crystals

✍ I. D. Mikheikin; I. A. Abronin; G. M. Zhidomirov; V. B. Kazanskii 📂 Article 📅 1976 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 227 KB