Seema Gautam
Seema Gautam
Institute of Nano Science ad Technology, Mohali
Verified email at inst.ac.in
Title
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Year
Nano-structured hybrid molybdenum carbides/nitrides generated in situ for HER applications
R Kumar, R Rai, S Gautam, A De Sarkar, N Tiwari, SN Jha, ...
Journal of Materials Chemistry A 5 (17), 7764-7768, 2017
342017
CO2 adsorption and activation over medium sized Cun (n= 7, 13 and 19) clusters: A density functional study
S Gautam, K Dharamvir, N Goel
Computational and Theoretical Chemistry 1009, 8-16, 2013
272013
Density functional studies of LiN and LiN+ (N= 2–30) clusters: Structure, binding and charge distribution
N Goel, S Gautam, K Dharamvir
International Journal of Quantum Chemistry 112 (2), 575-586, 2012
202012
A DFT based prediction of gold fullerene Au 92 Si 12 with the aid of silicon
S Gautam, N Goel, K Dharamvir
RSC Advances 4 (27), 13927-13933, 2014
162014
Structural Evolution and Stability of Hydrogenated Lin (n = 1–30) Clusters: A Density Functional Study
S Gautam, K Dharamvir, N Goel
The Journal of Physical Chemistry A 115 (24), 6383-6389, 2011
142011
A systematic investigation of acetylene activation and hydracyanation of the activated acetylene on Au n (n= 3–10) clusters via density functional theory
S Gautam, A De Sarkar
Physical Chemistry Chemical Physics 18 (20), 13830-13843, 2016
102016
Activation and adsorption of on copper surfaces and clusters
S Gautam, N Goel, K Dharmvir
AIP Conference Proceedings 1591 (1), 364-365, 2014
32014
A DFT based prediction of gold fullerene Au₉₂Si₁₂ with the aid of silicon
S Gautam, N Goel, K Dharamvir
2014
Comparison of Cluster Calculation with Different Software—The Case of Small Clusters
N Goel, S Gautam, Priyanka, K Dharamvir
AIP Conference Proceedings 1393 (1), 289-290, 2011
2011
Structural, Electronic and Optical Properties of Medium Sized Neutral and Cationic Cluster ( 8 10 20, 30) by Density Functional Theory
N Goel, S Gautam, K Dharamvir
AIP Conference Proceedings 1349 (1), 241-242, 2011
2011
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Articles 1–10