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First Principles Pseudopotential Calculations on Aluminum and Aluminum Alloys
Davenport, J W
;
Chetty, N
;
Marr, R B
;
Narasimhan, Shobhana
;
Pasciak, J E
;
Peierls, R F
;
Weinert, M
(
Brookhaven National Laboratory
,
1994
)
Ab initio calculations on the anomalous thermal behaviour of fcc(110) surfaces
Narasimhan, Shobhana
(
Elsevier Science BV
,
2001-09-22
)
Lifting of Irˆ100‰ reconstruction by CO adsorption: An ab initio study
Ghosh, Prasenjit
;
Narasimhan, Shobhana
;
Jenkins, Stephen J
;
King, David A
(
American Institute of Physics
,
2007-06-28
)
Exchange–correlation errors at harmonic and anharmonic orders: the case of bulk Cu
Pushpa, Raghani
;
Narasimhan, Shobhana
(
Indian Academy Of Sciences
,
2003-01
)
Comparison between s- and d-electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods
Odell, Anders
;
Delin, Anna
;
Johansson, Borje
;
Ulman, Kanchan
;
Narasimhan, Shobhana
;
Rungger, Ivan
;
Sanvito, Stefano
(
American Physical Society
,
2011-10-03
)
Effect of coordination on bond properties: A first principles study
Paul, Jaita
;
Narasimhan, Shobhana
(
Springer
,
2008-06
)
Double stripe reconstruction of the Pt(111) surface
Pushpa, Raghani
;
Narasimhan, Shobhana
(
Indian Academy of Sciences
,
2003-01
)
Multipolar polarizabilities and Rydberg states
Krishnagopal, S
;
Narasimhan, Shobhana
;
Patil, S H
(
American Institute of Physics
,
1985-06-12
)
Interplay between bonding and magnetism in the binding of NO to Rh clusters
Ghosh, Prasenjit
;
Pushpa, Raghani
;
de Gironcoli, Stefano
;
Narasimhan, Shobhana
(
American Institute of Physics
,
2008-05-12
)
Symmetries, vibrational instabilities, and routes to stable structures of clusters of Al, Sn, and As
Pushpa, Raghani
;
Narasimhan, Shobhana
;
Waghmare, Umesh
(
Ameriacn Institute of Physics
,
2004-09-15
)
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Narasimhan, Shobhana (56)
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