Computational Materials and Nanoscience Group

(PbS)32: A baby Crystal
J. Chem. Phys. 136, 024317 (2012)

Featured in AIP "Physics News Highlights" newsletter (01/17/2012).

Appeared under Research Highlights on the journal homepage (

Selected as "2012 Editor's Choice" by the Journal of Chemical Physics editors.

Manganese based Magnetic Superhalogens
Angew. Chem. Int. Ed. 50, 2568 (2011)

Featured in “Hot topics in Magnetic Materials” by Wiley Interscience and other science websites

Hyperhalogens: Discovery of a new class of highly electronegative species
Angew. Chem. Int. Ed. 49, 8966 (2010) (VIP paper)

Featured in C&EN, the ACS weekly magazine under "Science and Technology Concentrates" and in the ChemViews Magazine of ChemPubSoc Europe.

Origin of the unusual properties of Aun(BO2) Clusters
ChemPhysChem 11, 853 (2010)

Featured in “Hot topics in Gold” by Wiley Interscience

Superhalogen Properties of Fluorinated Coinage Metal Clusters
J. Phys. Chem. C 114, 16018 (2010)
(part of Special Issue: Protected Metallic Clusters, Quantum Wells, and Metallic Nanocrystal Molecules)

Chain and Double-Ring Polymeric Structures: Observation of AlnH3n+1- (n=4-8) and Al4H14-
J. Chem. Phys. (Communication) 132, 241103 (2010)

Unique Magnetic coupling between Mn doped Stannaspherenes (Mn@Sn12)
Appl. Phys. Lett. 92, 143109 (2008)

Hydrogen Storage and the 18 electron rule
J. Chem. Phys. 124, 224703 (2006)