Structural studies of TcO2 by neutron powder diffraction and first-principles calculations

Journal of the American Chemical Society

Volumn 129, Issue 33, 2007, Pages 10244-10248

  Rodriguez, Efrain E ^a,b   Poineau, Frederic ^c   Llobet, Anna ^b   Sattelberger, Alfred P ^c,e   Bhattacharjee, Joydeep ^d   Waghmare, Umesh V ^d   Hartmann, Thomas ^c   Cheetham, Anthony K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF NEVADA   (United States)

^d JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

^e ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EDGE SHARING CHAINS; FIRST PRINCIPLES CALCULATIONS; TECHNETIUM DIOXIDE;

BOND STRENGTH (CHEMICAL); CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; NEUTRON POWDER DIFFRACTION; RIETVELD ANALYSIS;

TECHNETIUM COMPOUNDS;

OXIDE; TECHNETIUM; TECHNETIUM OXIDE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; NEUTRON DIFFRACTION;

EID: 34548169042     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0727363     Document Type: Article

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