Debashree Manna

Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets

Debashree Manna, Manoj K. Kesharwani, Nitai Sylvetsky et al. · Journal of Chemical Theory and Computation · 2017 · 118 citations

Natural Sciences, Chemistry, Physics +13

Non-covalent control of spin-state in metal-organic complex by positioning on N-doped graphene

Bruno de la Torre, Martin Švec, Prokop Hapala et al. · Nature Communications · 2018 · 95 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Actinide selectivity of 1,10-phenanthroline-2,9-dicarboxamide and its derivatives: a theoretical prediction followed by experimental validation

Debashree Manna, Soumyaditya Mula, Arunasis Bhattacharyya et al. · Dalton Transactions · 2014 · 74 citations

Natural Sciences, Chemistry, Analytical Chemistry +15

What Are the Ground State Structures of C₂₀ and C₂₄? An Explicitly Correlated Ab Initio Approach

Debashree Manna, Jan M. L. Martin · The Journal of Physical Chemistry A · 2015 · 70 citations

Natural Sciences, Chemistry, Physics +13

Complexation behavior of trivalent actinides and lanthanides with 1,10-phenanthroline-2,9-dicarboxylic acid based ligands: insight from density functional theory

Debashree Manna, Tapan K. Ghanty · Physical Chemistry Chemical Physics · 2012 · 68 citations

Natural Sciences, Chemistry, Inorganic Chemistry +16