DFT study of the [Ru(NO)Cl 5] 2- ion: Metastable states and isomerization path

Journal of Molecular Structure: THEOCHEM

Volumn 683, Issue 1-3, 2004, Pages 97-102

  Sizova, Olga V ^a   Sizov, Vladimir V ^a   Baranovski, Victor I ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Density functional theory (DFT); Metastable states; Potential curves; Ruthenium nitrosyl complexes

Indexed keywords

CHLORINE; NITROGEN; OXYGEN; RUTHENIUM DERIVATIVE;

ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ENERGY; ISOMERIZATION; SURFACE PROPERTY;

EID: 4544372320     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.06.020     Document Type: Article

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