Title of article :
Clusters of hafnium, Hfn n = 2–8
Author/Authors :
Bauschlicher Jr.، نويسنده , , Charles W.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2008
Abstract :
Small Hfn clusters are studied using density functional theory. The clusters tend to have high symmetry with multiple metal bonds. The atomization energy converges slowly toward the bulk value. All of the vibrational modes are computed to be very weak in the infrared.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters