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Maya Khatun
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A global optimizer for nanoclusters
M Khatun, RS Majumdar, A Anoop
Frontiers in chemistry 7, 644, 2019
392019
CAl4Mg0/−: Global Minima with a Planar Tetracoordinate Carbon Atom
N Job, M Khatun, K Thirumoorthy, SSR CH, V Chandrasekaran, A Anoop, ...
Atoms 9 (2), 24, 2021
182021
CSi n Ge 4− n 2+(n= 1–3): prospective systems containing planar tetracoordinate carbon (ptC)
P Das, M Khatun, A Anoop, PK Chattaraj
Physical Chemistry Chemical Physics 24 (27), 16701-16711, 2022
172022
BAl4Mg−/0/+: Global Minima with a Planar Tetracoordinate or Hypercoordinate Boron Atom
M Khatun, S Roy, S Giri, SSR CH, A Anoop, VS Thimmakondu
Atoms 9 (4), 89, 2021
82021
Nanoclusters and nanoalloys of group 13 elements (B, Al, and Ga): benchmarking of methods and analysis of their structures and energies
M Khatun, P Sarkar, S Panda, LT Sherpa, A Anoop
Physical Chemistry Chemical Physics 25 (29), 19986-20000, 2023
32023
Performance of Density Functionals and Semiempirical 3c Methods for Small Gold–Thiolate Clusters
M Khatun, S Paul, S Roy, S Dey, A Anoop
The Journal of Physical Chemistry A 127 (10), 2242-2257, 2023
12023
HCN Dimers to HCN Tetramers: Computational Exploration of Binary Reactions
S Panda, S Roy, M Khatun, A Anoop
2024
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