DFT description of binary metal met-cars TixZryC12 (x + y = 8) and of some conformers of the M6C12, M7C12, and M8C13 clusters (M = Ti, Zr)

Journal of Physical Chemistry A

Volumn 101, Issue 44, 1997, Pages 8345-8350

  Muñoz, Jordi ^a   Pujol, Cinta ^a   Bo, Carles ^a   Poblet, Josep M ^a   Rohmer, Marie Madeleine ^b   Benard, Marc ^b  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BIMETALS; CONFORMATIONS; DISSOCIATION; IONIZATION OF SOLIDS; MASS SPECTROMETRY; MOLECULAR STRUCTURE; STOICHIOMETRY; TITANIUM COMPOUNDS; ZIRCONIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY; METALLOCARBOHEDRENES;

ORGANOMETALLICS;

EID: 0031248363     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971829b     Document Type: Article

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