Submissions from 2009
Mg-doped GaN nanostructures: Energetics, magnetism, and H2 adsorption, Qian Wang, Qiang Sun, Puru Jena, and Yoshiyuki Kawazoe
Stabilizing a 22 karat nanogolden cage, Q. Wang, Q. Sun, and P. Jena
Superhalogen properties of CuFn clusters, Q. Wang, Q. Sun, and P. Jena
Doping induced anisotropic growth in C60, Miao Miao Wu, Qiang Sun, Puru Jena, and Yoshiyuki Kawazoe
Submissions from 2008
Interaction of gas molecules with Ti-benzene complexes, G. Chen, P. Jena, and Y. Kawazoe
First-principles study of interaction of molecular hydrogen with Li-doped carbon nanotube peapod structures, Li Chen, Yiming Zhang, Nikhil Koratkar, Puru Jena, and Saroj K. Nayak
Unique magnetic coupling between Mn doped stannaspherenes Mn @Sn12, Anil K. Kandalam, Gang Chen, and Puru Jena
Photoelectron spectroscopy and theoretical studies of [Com(pyrene)n]− (m=1,2 and n=1,2) complexes, Anil K. Kandalam, Puru Jena, Xiang Li, Soren N. Eustis, and Kit H. Bowen
Optical properties of Ti3SiC2 and Ti4AlN3, S. Li, R. Ahuja, M. W. Barsoum, Puru Jena, and B. Johansson
Li- and B-decorated cis-polyacetylene: A computational study, S. Li and Puru Jena
Li- and B-decorated cis-polyacetylene: A computational study, S. Li and Puru Jena
Photoelectron spectroscopic and theoretical studies of Fem−(coronene)n (m=1,2, n=1,2) complexes, Xiang Li, Soren Eustis, Kit H. Bowen, Anil K. Kandalam, and Puru Jena
Anisotropy in the electronic structure of V2GeC investigated by soft x-ray emission spectroscopy and first-principles theory, Martin Magnuson, Ola Wilhelmsson, Maurizio Mattesini, Sa Li, Rajeev Ahuja, Olle Eriksson, Hans Högberg, Lars Hultman, and Ulf Jansson
Yellow luminescence in ZnO layers grown on sapphire, M. A. Reshchikov, J. Q. Xie, B. Hertog, and A. Osinsky
Stability and magnetic properties of T2Sin (T=Cr,Mn,1≤n≤8) clusters, R. Robles, Shiv N. Khanna, and A. W. Castleman Jr
Vacancy-induced magnetism in ZnO thin films and nanowires, Qian Wang, Qiang Sun, Gang Chen, Yoshiyuki Kawazoe, and Puru Jena
Ligand induced ferromagnetism in ZnO nanostructures, Qian Wang, Qiang Sun, and P. Jena
Submissions from 2007
On the structural and energetic properties of the hydrogen absorber Li2Mg(NH)2, C. Moysés Araújo, Ralph H. Scheicher, Puru Jena, and Rajeev Ahuja
Dehydrogenation from 3d-transition-metal-doped NaAlH4: Prediction of catalysts, A. Blomqvist, C. Moysés Araújo, Puru Jena, and R. Ahuja
Theoretical study of deep-defect states in bulk PbTe and in thin films, Khang Hoang, S. D. Mahanti, and Puru Jena
Ground state structures and photoelectron spectroscopy of [Co-m(coronene)](-) complexes, Anil K. Kandalam, Boggavarapu Kiran, Puru Jena, Xiang Li, Andrej Grubisic, and Kit H. Bowen
Local electronic and optical behaviors of a-plane GaN grown via epitaxial lateral overgrowth, J. C. Moore, V. Kasliwal, A. A. Baski, X. Ni, Ü. Özgür, and Hadis Morkoç
An ab initio investigation on the endohedral metallofullerene Gd 3 N – C 80, M. C. Qian and S. N. Khanna
Magnetic endohedral metallofullerenes with floppy interiors, Meichun Qian, Stephen V. Ong, Shiv N. Khanna, and Mark B. Knickelbein
Structure of SiAu(16): Can a silicon atom be stabilized in a gold cage?, Qiang Sun, Qian Wang, Gang Chen, and Puru Jena