Theoretical studies of thermal decomposition of anhydrous cadmium and silver oxalates: Part I. Electronic structure calculations

Journal of Thermal Analysis and Calorimetry

Volumn 96, Issue 1, 2009, Pages 161-165

  Kolezynski A ^a   Malecki A ^a  

^a AGH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Poland)

Author keywords

Electron density topology; FP LAPW ab initio calculations; Thermal decomposition

Indexed keywords

CADMIUM; CADMIUM COMPOUNDS; CALCULATIONS; CARRIER CONCENTRATION; CRYSTAL STRUCTURE; DECOMPOSITION; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; ELECTRONS; PYROLYSIS; SILVER; SILVER COMPOUNDS; THERMOLYSIS; TOPOLOGY;

AB INITIO CALCULATIONS; ATOMS IN MOLECULES; ELECTRON-DENSITY TOPOLOGY; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; THERMAL DECOMPOSITION PROCESS; TOPOLOGICAL PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 62249223964     PISSN: 13886150     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10973-008-9429-9     Document Type: Conference Paper

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