A global optimizer for nanoclusters M Khatun, RS Majumdar, A Anoop Frontiers in chemistry 7, 644, 2019 | 41 | 2019 |
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 | 19 | 2022 |
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 | 18 | 2021 |
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 | 9 | 2021 |
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 | 3 | 2023 |
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 | 1 | 2023 |
HCN Dimers to HCN Tetramers: Computational Exploration of Binary Reactions S Panda, S Roy, M Khatun, A Anoop | | 2024 |
Implementation of Automated Search for Building Atomic Nanoclusters, and its Applications on Boron Group and Thiolate Protected Gold Nanoclusters M Khatun IIT Kharagpur, 2023 | | 2023 |