All-electron ab initio investigation of the electronic states of the PdC molecule

ChemPhysChem

Volumn 2, Issue 2, 2001, Pages 125-130

  Shim, Irene ^a   Gingerich, Karl A ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b TEXAS A AND M UNIVERSITY   (United States)

Author keywords

Ab initio calculations; Chemical bonding; Electronic structure; Palladium carbide; Transition metals

Indexed keywords

CALCULATIONS; CARBIDES; CHEMICAL BONDS; ELECTRONIC STATES; ELECTRONIC STRUCTURE; TRANSITION METALS;

AB INITIO CALCULATIONS; AB INITIO INVESTIGATION; CHEMICAL BONDINGS;

PALLADIUM COMPOUNDS;

EID: 0000387838     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/1439-7641(20010216)2:2<125::AID-CPHC125>3.0.CO;2-4     Document Type: Article

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