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Results 1-10 of 56 (Search time: 0.001 seconds).
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Issue Date
Title
Author(s)
1994
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
2001-09-22
Ab initio calculations on the anomalous thermal behaviour of fcc(110) surfaces
Narasimhan, Shobhana
2007-06-28
Lifting of Irˆ100‰ reconstruction by CO adsorption: An ab initio study
Ghosh, Prasenjit
;
Narasimhan, Shobhana
;
Jenkins, Stephen J
;
King, David A
2003-01
Exchange–correlation errors at harmonic and anharmonic orders: the case of bulk Cu
Pushpa, Raghani
;
Narasimhan, Shobhana
2011-10-03
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
2008-06
Effect of coordination on bond properties: A first principles study
Paul, Jaita
;
Narasimhan, Shobhana
2003-01
Double stripe reconstruction of the Pt(111) surface
Pushpa, Raghani
;
Narasimhan, Shobhana
1985-06-12
Multipolar polarizabilities and Rydberg states
Krishnagopal, S
;
Narasimhan, Shobhana
;
Patil, S H
2008-05-12
Interplay between bonding and magnetism in the binding of NO to Rh clusters
Ghosh, Prasenjit
;
Pushpa, Raghani
;
de Gironcoli, Stefano
;
Narasimhan, Shobhana
2004-09-15
Symmetries, vibrational instabilities, and routes to stable structures of clusters of Al, Sn, and As
Pushpa, Raghani
;
Narasimhan, Shobhana
;
Waghmare, Umesh
Discover
Author
12
Pushpa, Raghani
8
Ghosh, Prasenjit
7
de Gironcoli, Stefano
6
Marathe, Madhura
5
Imam, Mighfar
5
Ulman, Kanchan
3
Mammen, Nisha
3
Paul, Jaita
3
Waghmare, Umesh
2
Biswas, Sananda
.
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Subject
9
Adsorption
9
Metals
7
Growth
7
Surface
6
density functional theory
5
density functional calculations
5
phonons
5
Physical Chemistry
5
Pseudopotentials
5
Scanning-Tunneling-Microscopy
.
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Date issued
15
2010 - 2016
31
2000 - 2009
7
1990 - 1999
3
1985 - 1989
Has File(s)
56
true