Theoretical studies of electronic and crystal structure properties of anhydrous mercury oxalate

Journal of Thermal Analysis and Calorimetry

Volumn 101, Issue 2, 2010, Pages 499-504

  Kolezynski A ^a   Malecki A ^a  

^a AGH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Poland)

Author keywords

Bond order; Bond strength; Bond valence; Electron density topology; FP LAPW DFT calculations; Thermal decomposition of oxalates

Indexed keywords

BOND STRENGTH (MATERIALS); CALCULATIONS; CARRIER CONCENTRATION; DECOMPOSITION; ELECTRON DENSITY MEASUREMENT; MERCURY (METAL); OXALIC ACID; QUANTUM THEORY; THERMOLYSIS; TOPOLOGY;

AB INITIO CALCULATIONS; BOND ORDERING; BOND VALENCES; DFT CALCULATION; ELECTRON-DENSITY TOPOLOGY; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; QUANTUM THEORY OF ATOMS IN MOLECULES; THERMAL DECOMPOSITION PROCESS;

CRYSTAL STRUCTURE;

EID: 79961206033     PISSN: 13886150     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10973-010-0825-6     Document Type: Conference Paper

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