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Molecular electrostatic potentials and electron deformation densities from Xα calculations. The case of O2, O2− and O22−

✍ Scribed by Michel Roch; Jacques Weber

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 536 KB
Volume: 115
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)80026-9

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✦ Synopsis

A molecular-orbital study. performed using both multiple scattering Xa and ab uuuo SCF models, is reported for tie 'protonauon process of 02, 0; and O2 The main features of both molecular electrostatic potential and electron deformauon density WUIOUT maps are compared and drscussed.

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