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Satya S Bulusu
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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
5522005
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
4202006
Structures and relative stability of neutral gold clusters: Aun (n= 15–19)
S Bulusu, XC Zeng
The Journal of chemical physics 125 (15), 2006
1692006
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
1562005
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
1362007
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
1202006
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
1172007
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
1152009
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
1112005
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
1032007
Lowest-Energy Structures of Water Clusters (H2O)11 and (H2O)13
S Bulusu, S Yoo, E Apr, S Xantheas, XC Zeng
The Journal of Physical Chemistry A 110 (42), 11781-11784, 2006
992006
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
972006
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
942007
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
772003
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
682005
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
632008
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
622008
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
592017
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
592008
Neural network potentials for dynamics and thermodynamics of gold nanoparticles
S Chiriki, S Jindal, SS Bulusu
The Journal of chemical physics 146 (8), 2017
582017
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Articles 1–20