| 1 |
A first principle investigation on the thermal stability of a golden fullerene: A case study of Au-32
De HS, Krishnamurty S, Pal S
Catalysis Today, 198(1), 106, 2012 |
| 2 |
Influence of plane wave cut-off on structural and electronic properties in Sn-BEA and Ti-BEA zeolite water molecule interaction
Kulkarni BS, Krishnamurty S, Pal S
Chemical Physics Letters, 484(4-6), 374, 2010 |
| 3 |
Probing Lewis acidity and reactivity of Sn- and Ti-beta zeolite using industrially important moieties: A periodic density functional study
Kulkarni BS, Krishnamurty S, Pal S
Journal of Molecular Catalysis A-Chemical, 329(1-2), 36, 2010 |
| 4 |
Electro-Oxidation of Borohydride on Rhodium, Iridium, and Rhodium-Iridium Bimetallic Nanoparticles with Implications to Direct Borohydride Fuel Cells
Kiran V, Ravikumar T, Kalyanasundaram NT, Krishnamurty S, Shukla AK, Sampath S
Journal of the Electrochemical Society, 157(8), B1201, 2010 |
| 5 |
Density Functional Theory-Based Conformational Analysis of a Phospholipid Molecule (Dimyristoyl Phosphatidylcholine)
Krishnamurty S, Stefanov M, Mineva T, Begu S, Devoisselle JM, Goursot A, Zhu R, Salahub DR
Journal of Physical Chemistry B, 112(42), 13433, 2008 |
| 6 |
Influence of dynamics on the structure and NMR chemical shift of a zeolite precursor
Krishnamurty S, Heine T, Goursot A
Journal of Physical Chemistry B, 107(24), 5728, 2003 |
| 7 |
Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge
Roy RK, Hirao K, Krishnamurty S, Pal S
Journal of Chemical Physics, 115(7), 2901, 2001 |
| 8 |
Theoretical modeling of a copper site in a Cu(II)-Y zeolite
Berthomieu D, Krishnamurty S, Coq B, Delahay G, Goursot A
Journal of Physical Chemistry B, 105(6), 1149, 2001 |
| 9 |
Intermolecular reactivity trends using the concept of group softness
Krishnamurty S, Pal S
Journal of Physical Chemistry A, 104(32), 7639, 2000 |
| 10 |
The local hard-soft acid-base principle: A critical study
Krishnamurty S, Roy RK, Vetrivel R, Iwata S, Pal S
Journal of Physical Chemistry A, 101(39), 7253, 1997 |
