The prediction of the nuclear quadrupole splitting of119Sn Mössbauer spectroscopy data by scalar relativistic DFT calculations

Chemistry - A European Journal

Volumn 12, Issue 19, 2006, Pages 5116-5121

  Krogh, Jesper W ^a   Barone, Giampaolo ^b   Lindh, Roland ^a  

^a LUND UNIVERSITY   (Sweden)

^b UNIVERSITY OF PALERMO   (Italy)

Author keywords

Density functional calculations; Moessbauer spectroscopy; Nuclear quadrupole splitting; Tin

Indexed keywords

CALCULATIONS; ELECTRIC FIELD EFFECTS; ELECTRONIC STRUCTURE; FISSION REACTIONS; MOSSBAUER SPECTROSCOPY; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; REGRESSION ANALYSIS;

DENSITY FUNCTIONAL CALCULATIONS; ELECTRIC FIELD GRADIENT; NUCLEAR QUADRUPOLE SPLITTING; SINGLETTRIPLET STATE;

TIN;

EID: 33745685971     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200501352     Document Type: Article

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