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BK Rao

Research Profile

Chemicals & Drugs

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Thermodynamics

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Publications

TOP 3
Bappaditya Chatterjee; B V Reddy; BK Rao; Shiv N Khanna; Puru Jena
Interaction of Pd and PdCl2 with cellulose: a theoretical investigation.
Anil K Kandalam; BK Rao; Puru Jena
DFT study of structure and binding energies of Fe-corannulene complex.
V Cerowski; BK Rao; Shiv N Khanna; Puru Jena; Soh Ishii; Kaoru Ohno; Yoshiyuki Kawazoe
Evolution of the electronic structure of Be clusters.

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All Publications

2005: Bappaditya Chatterjee; B V Reddy; BK Rao; Shiv N Khanna; Puru Jena
Interaction of Pd and PdCl2 with cellulose: a theoretical investigation.
The journal of physical chemistry. B 2005;109(49):23655-60.
2005: Anil K Kandalam; BK Rao; Puru Jena
DFT study of structure and binding energies of Fe-corannulene complex.
The journal of physical chemistry. A 2005;109(41):9220-5.
2005: V Cerowski; BK Rao; Shiv N Khanna; Puru Jena; Soh Ishii; Kaoru Ohno; Yoshiyuki Kawazoe
Evolution of the electronic structure of Be clusters.
The Journal of chemical physics 2005;123(7):074329.
2004: Qiang Sun; BK Rao; Puru Jena; Davor Stolcic; Young Dok Kim; Gerd Gantefor; A Welford Castleman
Appearance of bulk properties in small tungsten oxide clusters.
The Journal of chemical physics 2004;121(19):9417-22.
2004: Qiang Sun; Q Wang; BK Rao; Puru Jena
Electronic structure and bonding of Au on a SiO2 cluster: a nanobullet for tumors.
Physical review letters 2004;93(18):186803.
2004: Anil K Kandalam; BK Rao; Puru Jena; Ravindra Pandey
Geometry and electronic structure of Vn(Bz)m complexes.
The Journal of chemical physics 2004;120(22):10414-22.
2003: Qiang Sun; Q Wang; Puru Jena; BK Rao; Yoshiyuki Kawazoe
Stabilization of Si60 cage structure.
Physical review letters 2003;90(13):135503.
2002: BK Rao; Puru Jena
Giant magnetic moments of nitrogen-doped Mn clusters and their relevance to ferromagnetism in Mn-doped GaN.
Physical review letters 2002;89(18):185504.
2002: Shiv N Khanna; BK Rao; Puru Jena
Magic numbers in metallo-inorganic clusters: chromium encapsulated in silicon cages.
Physical review letters 2002;89(1):016803.
2001: Ravindra Pandey; BK Rao; Puru Jena; M A Blanco
Electronic structure and properties of transition metal-benzene complexes.
Journal of the American Chemical Society 2001;123(16):3799-808.
2001: BK Rao; Puru Jena; S Burkart; Gerd Ganteför; G Seifert
AlH(3) and Al(2)H(6): magic clusters with unmagical properties.
Physical review letters 2001;86(4):692-5.

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