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Technical Report CMS-TR-20100929


Title Gd@Au15: A Magic Magnetic Gold Cluster for Cancer Therapy and Bioimaging
Author/s Brahm Deo Yadav
Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411 007 India


Vijay Kumar
Dr. Vijay Kumar Foundation, 1969 Sector 4, Gurgaon, 122001 Haryana, India
Abstract We report from ab initio calculations a magic magnetic cage cluster of gold, Gd@Au15, obtained by doping of a Gd atom in gold clusters. It has a highest occupied molecular orbital-lowest unoccupied molecular orbital gap of 1.31 eV within the generalized gradient approximation that makes it a potential candidate for cancer therapy with an additional attractive feature that its large magnetic moment of 7 B could be beneficial for magnetic resonance imaging.
Keywords
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Citing This Document Brahm Deo Yadav, and Vijay Kumar , Gd@Au15: A Magic Magnetic Gold Cluster for Cancer Therapy and Bioimaging . Technical Report CMS-TR-20100929 of the Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411007, India (2010); available at http://cms.unipune.ac.in/reports/.
Notes, Published Reference, Etc. Published as Applied Physics Letters 97, 133701 (2010)
Contact kumar AT vkf.in
Supplementary Material


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