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Debashree Manna

Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets
2017 · Debashree Manna, Manoj K. Kesharwani, et al. · Journal of Chemical Theory and Computation · 105
Non-covalent control of spin-state in metal-organic complex by positioning on N-doped graphene
2018 · Bruno de la Torre, Martin Švec, et al. · Nature Communications · 93
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Actinide selectivity of 1,10-phenanthroline-2,9-dicarboxamide and its derivatives: a theoretical prediction followed by experimental validation
2014 · Debashree Manna, Soumyaditya Mula, et al. · Dalton Transactions · 73
What Are the Ground State Structures of C20 and C24? An Explicitly Correlated Ab Initio Approach
2015 · Debashree Manna, Jan M. L. Martin · The Journal of Physical Chemistry A · 71
Complexation behavior of trivalent actinides and lanthanides with 1,10-phenanthroline-2,9-dicarboxylic acid based ligands: insight from density functional theory
2012 · Debashree Manna, Tapan K. Ghanty · Physical Chemistry Chemical Physics · 69
Diglycolamide-functionalized task specific ionic liquids for nuclear waste remediation: extraction, luminescence, theoretical and EPR investigations
2014 · Arijit Sengupta, Prasanta K. Mohapatra, et al. · RSC Advances · 52
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Theoretical Prediction of Noble Gas Inserted Thioformyl Cations: HNgCS+(Ng = He, Ne, Ar, Kr, and Xe)
2014 · Ayan Ghosh, Debashree Manna, et al. · The Journal of Physical Chemistry A · 47
The X40×10 Halogen Bonding Benchmark Revisited: Surprising Importance of ( n –1)d Subvalence Correlation
2018 · Manoj K. Kesharwani, Debashree Manna, et al. · The Journal of Physical Chemistry A · 43
Theoretical Prediction of Rare Gas Containing Hydride Cations: HRgBF+(Rg = He, Ar, Kr, and Xe)
2013 · Abhishek Sirohiwal, Debashree Manna, et al. · The Journal of Physical Chemistry A · 40
Prediction of a New Series of Thermodynamically Stable Actinide Encapsulated Fullerene Systems Fulfilling the 32-Electron Principle
2012 · Debashree Manna, Tapan K. Ghanty · The Journal of Physical Chemistry C · 38
The stability of covalent dative bond significantly increases with increasing solvent polarity
2022 · Rabindranath Lo, Debashree Manna, et al. · Nature Communications · 37
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Theoretical Prediction of Icosahedral U@C20and Analogous Systems with High HOMO–LUMO Gap
2012 · Debashree Manna, Tapan K Ghanty · The Journal of Physical Chemistry C · 33
Theoretical Prediction of XRgCO+Ions (X = F, Cl, and Rg = Ar, Kr, Xe)
2013 · Debashree Manna, Ayan Ghosh, et al. · The Journal of Physical Chemistry A · 32
Significant modulation of CO adsorption on bimetallic Au19Li cluster
2013 · Krishnakanta Mondal, Debashree Manna, et al. · Chemical Physics · 32
Complexation of trivalent lanthanides and actinides with several novel diglycolamide-functionalized calix[4]arenes: solvent extraction, luminescence and theoretical studies
2013 · Dhaval R. Raut, Prasanta K. Mohapatra, et al. · RSC Advances · 32
Diorgano-Gallium and -Indium Complexes Derived from Benzoazole Ligands: Synthesis, Characterization, Photoluminescence, and Computational Studies
2012 · Manoj K. Pal, Nisha Kushwah, et al. · Organometallics · 32
Thermodynamic study of Eu(III) complexation by pyridine monocarboxylates
2012 · D. Rama Mohana Rao, Neetika Rawat, et al. · The Journal of Chemical Thermodynamics · 32
Self‐Assembled Pd(II) Nano‐Adsorbents for Iodine and Methyl Iodide Capture in Vapor and Aqueous Phases
2025 · Monotosh Dalapati, Raghunath Singha, et al. · Small · 30
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Effect of Hydrogen Atom Doping on the Structure and Electronic Properties of 20-Atom Gold Cluster
2016 · Krishnakanta Mondal, Shraddha Agrawal, et al. · The Journal of Physical Chemistry C · 29
Synthesis, structures and DFT calculations of 2-(4,6-dimethyl pyrimidyl)selenolate complexes of Cu( i ), Ag( i ) and Au( i ) and their conversion into metal selenide nanocrystals
2014 · Rakesh K. Sharma, Amey Wadawale, et al. · Dalton Transactions · 28
Synthesis, Characterization, Photoluminescence, and Computational Studies of Monoorgano-Gallium and -Indium Complexes Containing Dianionic Tridentate ONE (E = O or S) Schiff Bases
2012 · Nisha Kushwah, Manoj K. Pal, et al. · Organometallics · 28
Coexistence of Electrochromism and Bipolar Nonvolatile Memory in a Single Viologen
2023 · Ranjeev Kumar Parashar, Suchita Kandpal, et al. · ACS Applied Materials & Interfaces · 27
Pu@C24: A New Example Satisfying the 32-Electron Principle
2014 · Debashree Manna, Abhishek Sirohiwal, et al. · The Journal of Physical Chemistry C · 27
Noble-Gas-Inserted Fluoro(sulphido)boron (FNgBS, Ng = Ar, Kr, and Xe): A Theoretical Prediction
2015 · Ayan Ghosh, Sourav Dey, et al. · The Journal of Physical Chemistry A · 25
Enhancement in the Stability of 36-Atom Fullerene through Encapsulation of a Uranium Atom
2013 · Debashree Manna, Tapan K. Ghanty · The Journal of Physical Chemistry C · 25
Works count: 103
Citation count: 1,491
H-index: 25
I10-index: 44
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