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The Electronic Structure of Crystalline Lead Oxides : II. Chemical Bonding in the Crystalline Lead Oxides

Evarestov, R. A. and Veryazov, V. A. LU orcid (1991) In Physica Status Solidi (B) 165(2). p.411-418
Abstract

A quantum‐chemical definition is proposed of the full atomic valence taking into account both, covalent and ionic components of chemical bonds formed by an atom in molecules or crystals. Atomic charges, covalent bond orders, and full atomic valencies of lead and oxygen atoms in the crystalline lead oxides are calculated in the framework of the LUC‐CNDO approach.

Please use this url to cite or link to this publication:
author
and
publishing date
type
Contribution to journal
publication status
published
subject
in
Physica Status Solidi (B)
volume
165
issue
2
pages
8 pages
publisher
John Wiley & Sons Inc.
external identifiers
  • scopus:84987084471
ISSN
0370-1972
DOI
10.1002/pssb.2221650211
language
English
LU publication?
no
id
6bc336f5-1072-4370-9465-74b18b191d09
date added to LUP
2019-05-22 14:35:34
date last changed
2021-01-03 10:17:57
@article{6bc336f5-1072-4370-9465-74b18b191d09,
  abstract     = {{<p>A quantum‐chemical definition is proposed of the full atomic valence taking into account both, covalent and ionic components of chemical bonds formed by an atom in molecules or crystals. Atomic charges, covalent bond orders, and full atomic valencies of lead and oxygen atoms in the crystalline lead oxides are calculated in the framework of the LUC‐CNDO approach.</p>}},
  author       = {{Evarestov, R. A. and Veryazov, V. A.}},
  issn         = {{0370-1972}},
  language     = {{eng}},
  month        = {{01}},
  number       = {{2}},
  pages        = {{411--418}},
  publisher    = {{John Wiley & Sons Inc.}},
  series       = {{Physica Status Solidi (B)}},
  title        = {{The Electronic Structure of Crystalline Lead Oxides : II. Chemical Bonding in the Crystalline Lead Oxides}},
  url          = {{http://dx.doi.org/10.1002/pssb.2221650211}},
  doi          = {{10.1002/pssb.2221650211}},
  volume       = {{165}},
  year         = {{1991}},
}