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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
4932005
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
4032006
Structures and relative stability of neutral gold clusters:
S Bulusu, XC Zeng
The Journal of chemical physics 125 (15), 154303, 2006
1552006
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
1442005
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
1302007
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
1132007
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
1092009
Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron cluster and
W An, S Bulusu, Y Gao, XC Zeng
The Journal of chemical physics 124 (15), 154310, 2006
1072006
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
1022007
Ab initio calculation of bowl, cage, and ring isomers of and
W An, Y Gao, S Bulusu, XC Zeng
The Journal of chemical physics 122 (20), 204109, 2005
972005
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
942006
Lowest-energy structures of water clusters (H2O) 11 and (H2O) 13
S Bulusu, S Yoo, E Apra, S Xantheas, XC Zeng
The Journal of Physical Chemistry A 110 (42), 11781-11784, 2006
932006
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
892007
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
692003
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
602008
Ab initio calculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene
W An, N Shao, S Bulusu, XC Zeng
The Journal of chemical physics 128 (8), 084301, 2008
602008
Search for global minimum geometries for medium sized germanium clusters:
S Bulusu, S Yoo, XC Zeng
The Journal of chemical physics 122 (16), 164305, 2005
562005
Probing the electronic and structural properties of doped aluminum clusters: (, Cu, and Au)
R Pal, LF Cui, S Bulusu, HJ Zhai, LS Wang, XC Zeng
The Journal of chemical physics 128 (2), 024305, 2008
552008
Neural network potentials for dynamics and thermodynamics of gold nanoparticles
S Chiriki, S Jindal, SS Bulusu
The Journal of chemical physics 146 (8), 084314, 2017
472017
CO chemisorption on the surfaces of the golden cages
W Huang, S Bulusu, R Pal, XC Zeng, LS Wang
The Journal of chemical physics 131 (23), 234305, 2009
452009
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