Szczegóły publikacji
Opis bibliograficzny
Theoretical studies of thermal decomposition of anhydrous cadmium and silver oxalates. Pt. 2, Correlations between the electronic structure and the ways of thermal decomposition / A. KOLEŻYŃSKI, A. MAŁECKI // Journal of Thermal Analysis and Calorimetry ; ISSN 1388-6150. — Tytuł poprz.: Journal of Thermal Analysis ; ISSN: 0368-4466. — 2009 — vol. 96 no. 1, s. 167–173. — Bibliogr. s. 173. — 18th annual workshop and exhibition of the Canadian-Thermal-Analysis-Society
Autorzy (2)
Słowa kluczowe
Dane bibliometryczne
| ID BaDAP | 46901 |
|---|---|
| Data dodania do BaDAP | 2009-09-10 |
| DOI | 10.1007/s10973-008-9430-3 |
| Rok publikacji | 2009 |
| Typ publikacji | referat w czasopiśmie |
| Otwarty dostęp |  |
| Czasopismo/seria | Journal of Thermal Analysis and Calorimetry |
Abstract
Detailed analysis of the results of full potential linearized augmented plane wave (FP LAPW) ab initio calculations for anhydrous silver and cadmium oxalates, reported in first part of this paper [1] has been presented. Additional calculations of Bader's AIM (Atoms in Molecules) topological properties of the electron density, bond orders (Pauling, Bader, Cioslowski and Mixon) and bond valences according to bond valence model have been done. The obtained results show the similarities in electronic structure of both compounds and support the conclusion, that during the thermal decomposition process, these compounds should most probably decompose to metal and carbon dioxide, in agreement with the experiment.
