| Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes B Kiran, S Bulusu, HJ Zhai, S Yoo, XC Zeng, LS Wang Proceedings of the National Academy of Sciences 102 (4), 961-964, 2005 | 588 | 2005 |
| Evidence of hollow golden cages S Bulusu, X Li, LS Wang, XC Zeng Proceedings of the National Academy of Sciences 103 (22), 8326-8330, 2006 | 433 | 2006 |
| Structures and relative stability of neutral gold clusters: Aun (n= 15–19) S Bulusu, XC Zeng The Journal of chemical physics 125 (15), 2006 | 176 | 2006 |
| Gold-caged metal clusters with large HOMO− LUMO gap and high electron affinity Y Gao, S Bulusu, XC Zeng Journal of the American Chemical Society 127 (45), 15680-15681, 2005 | 167 | 2005 |
| Doping golden buckyballs: Cu@ Au16− and Cu@ Au17− cluster anions LM Wang, S Bulusu, HJ Zhai, XC Zeng, LS Wang Angewandte Chemie International Edition 46 (16), 2915-2918, 2007 | 136 | 2007 |
| Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron cluster B20 and B20− W An, S Bulusu, Y Gao, XC Zeng The Journal of chemical physics 124 (15), 2006 | 126 | 2006 |
| Au34-: A Fluxional Core−Shell Cluster X Gu, S Bulusu, X Li, XC Zeng, J Li, XG Gong, LS Wang The Journal of Physical Chemistry C 111 (23), 8228-8232, 2007 | 121 | 2007 |
| Structural transition of gold nanoclusters: from the golden cage to the golden pyramid W Huang, S Bulusu, R Pal, XC Zeng, LS Wang ACS nano 3 (5), 1225-1230, 2009 | 114 | 2009 |
| Ab initio calculation of bowl, cage, and ring isomers of C20 and C20− W An, Y Gao, S Bulusu, XC Zeng The Journal of chemical physics 122 (20), 2005 | 114 | 2005 |
| Lowest-Energy Structures of Water Clusters (H2O)11 and (H2O)13 S Bulusu, S Yoo, E Aprà, S Xantheas, XC Zeng The Journal of Physical Chemistry A 110 (42), 11781-11784, 2006 | 106 | 2006 |
| Doping the golden cage Au16-with Si, Ge, and Sn LM Wang, S Bulusu, W Huang, R Pal, LS Wang, XC Zeng Journal of the American Chemical Society 129 (49), 15136-15137, 2007 | 105 | 2007 |
| A Global Search of Highly Stable Gold‐Covered Bimetallic Clusters M@Aun (n=8–17): Endohedral Gold Clusters Y Gao, S Bulusu, XC Zeng ChemPhysChem 7 (11), 2275-2278, 2006 | 101 | 2006 |
| Structural Transitions from Pyramidal to Fused Planar to Tubular to Core/Shell Compact in Gold Clusters: Aun- (n = 21−25) S Bulusu, X Li, LS Wang, XC Zeng The Journal of Physical Chemistry C 111 (11), 4190-4198, 2007 | 92 | 2007 |
| Cooperative effects in one-dimensional chains of three-center hydrogen bonding interactions RD Parra, S Bulusu, XC Zeng The Journal of chemical physics 118 (8), 3499-3509, 2003 | 79 | 2003 |
| Search for global minimum geometries for medium sized germanium clusters: Ge12–Ge20 S Bulusu, S Yoo, XC Zeng The Journal of chemical physics 122 (16), 2005 | 73 | 2005 |
| Spherical harmonics based descriptor for neural network potentials: Structure and dynamics of Au147 nanocluster S Jindal, S Chiriki, SS Bulusu The Journal of chemical physics 146 (20), 2017 | 68 | 2017 |
| Ab initio calculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene C24 W An, N Shao, S Bulusu, XC Zeng The Journal of chemical physics 128 (8), 2008 | 65 | 2008 |
| Neural network potentials for dynamics and thermodynamics of gold nanoparticles S Chiriki, S Jindal, SS Bulusu The Journal of chemical physics 146 (8), 2017 | 63 | 2017 |
| Effective CO oxidation on endohedral gold-cage nanoclusters Y Gao, N Shao, S Bulusu, XC Zeng The Journal of Physical Chemistry C 112 (22), 8234-8238, 2008 | 62 | 2008 |
| Probing the electronic and structural properties of doped aluminum clusters: MAl12−(M= li, cu, and au) R Pal, LF Cui, S Bulusu, HJ Zhai, LS Wang, XC Zeng The Journal of chemical physics 128 (2), 2008 | 62 | 2008 |
B. J. Berne or Bruce J Berne or Bruce...Higgins Professor of ChemistryEmail verificata su columbia.edu