๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A Localized Molecular Orbital Study of the Structure and Bonding of Ozone.

โœ Scribed by Dulal C. Ghosh; Arindam Chakraborty

Publisher
John Wiley and Sons
Year
2003
Weight
49 KB
Volume
34
Category
Article
ISSN
0931-7597

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๐Ÿ“œ SIMILAR VOLUMES

Localized molecular orbitals and electro
Localized molecular orbitals and electronic structure of buckminsterfullerene
โœ Dennis S. Marynick; S. Estreicher ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 348 KB

The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C,,).

Molecular structure of orthosilicic acid
Molecular structure of orthosilicic acid and importance of (p-d)ฯ€ bonding. An ab initio molecular orbital study
โœ Joachim Sauer ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 353 KB

OH and SiO bond lengths, the SiOH bond angle. favourcd conformations of the protons md rotational barriers are obtained from 6-3 lG\* calculations (assuming a tctr&edral SiO, structure). The role of d orbit& on silicon and/or oxygen atoms is assessed and the origin of the rotationA barriers for sikm

The bonding of sulfur to a Pt(111) surfa
The bonding of sulfur to a Pt(111) surface: photoemission and molecular orbital studies
โœ Jose A. Rodriguez; Mark Kuhn; Jan Hrbek ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 612 KB

The electronic properties of S/Pt(l 11) surfaces have heen investigated using high-resolution photoemission spectroscopy with synchrotron radiation, and ab initio self-consistent-field calculations. The formation of S-Ptf 111) bonds leads to a large decrease in the density of Sd states that the meta

Electronic structure and magnetic proper
Electronic structure and magnetic properties of the PO32โˆ’ radical: A molecular-orbital study
โœ Jacques Weber; Yves Cornioley; Michel Geoffroy ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 477 KB

## Spm-p&rilcd .md non-spin-polarized molecular-orbital US Xa calculations have been performed for the radical PO:-. -I1 P .md "0 nugnctic h\ perfinc tensors are determined together with the spin densities in the different orbirals of these ## IN~I AIIUI~L Thrw rccults are m good .qreement \\it