Anil Boda
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Preferential interaction of charged alkali metal ions (guest) within a narrow cavity of cyclic crown ethers (neutral host): a quantum chemical investigation
S De, A Boda, SM Ali
Journal of Molecular Structure: THEOCHEM 941 (1-3), 90-101, 2010
512010
DFT modeling on the suitable crown ether architecture for complexation with Cs+ and Sr 2+ metal ions
A Boda, SM Ali, MRK Shenoi, H Rao, SK Ghosh
Journal of molecular modeling 17 (5), 1091-1108, 2011
492011
Ab initio and density functional theoretical design and screening of model crown ether based ligand (host) for extraction of lithium metal ion (guest): effect of donor and …
A Boda, SM Ali, H Rao, SK Ghosh
Journal of molecular modeling 18 (8), 3507-3522, 2012
472012
An amide functionalized task specific carbon nanotube for the sorption of tetra and hexa valent actinides: experimental and theoretical insight
A Sengupta, J Sk, A Boda, SM Ali
RSC advances 6 (46), 39553-39562, 2016
412016
Benzene-centered tripodal diglycolamides: synthesis, metal ion extraction, luminescence spectroscopy, and DFT studies
A Leoncini, SA Ansari, PK Mohapatra, A Boda, SM Ali, A Sengupta, ...
Dalton transactions 46 (5), 1431-1438, 2017
362017
Density functional theoretical analysis of structure, bonding, interaction and thermodynamic selectivity of hexavalent uranium (UO 2 2+) and tetravalent plutonium (Pu 4+) ion …
S Pahan, A Boda, SM Ali
Theoretical Chemistry Accounts 134 (4), 1-16, 2015
352015
Density Functional Theoretical Investigation of Remarkably High Selectivity of the Cs+ Ion over the Na+ Ion toward Macrocyclic Hybrid Calix-Bis-Crown Ether
A Boda, MA Sheikh
The Journal of Physical Chemistry A 116 (33), 8615-8623, 2012
332012
Oxidation state selective sorption behavior of plutonium using N, N-dialkylamide functionalized carbon nanotubes: experimental study and DFT calculation
NK Gupta, A Sengupta, A Boda, VC Adya, SM Ali
RSC advances 6 (82), 78692-78701, 2016
312016
Dual mode of extraction for Cs+ and Na+ ions with dicyclohexano-18-crown-6 and bis (2-propyloxy) calix [4] crown-6 in ionic liquids: density functional theoretical investigation
SM Ali, JM Joshi, AKS Deb, A Boda, KT Shenoy, SK Ghosh
RSC Advances 4 (44), 22911-22925, 2014
312014
From microhydration to bulk hydration of Sr2+ metal ion: DFT, MP2 and molecular dynamics study
A Boda, S De, SM Ali, S Tulishetti, S Khan, JK Singh
Journal of Molecular Liquids 172, 110-118, 2012
232012
Density functional theoretical modeling of selective ligand for the separation of Zr and Hf metal oxycations (ZrO2+ and HfO2+)
A Boda, SM Ali, KT Shenoy, SK Ghosh
Separation Science and Technology 48 (16), 2397-2409, 2013
162013
Density functional theoretical study on the preferential selectivity of macrocyclic dicyclohexano-18-crown-6 for Sr+ 2 ion over Th+ 4 ion during extraction from an aqueous …
A Boda, JM Joshi, SM Ali, KT Shenoy, SK Ghosh
Journal of molecular modeling 19 (12), 5277-5291, 2013
142013
Partition coefficients of macrocyclic crown ethers in water–organic biphasic system: DFT/COSMO-RS approach
A Boda, SM Ali, MRK Shenoi
Fluid phase equilibria 288 (1-2), 111-120, 2010
142010
From microhydration to bulk hydration of Rb+ metal ion: DFT, MP2 and AIMD simulation study
A Boda, SM Ali
Journal of Molecular Liquids 179, 34-45, 2013
122013
Structural, luminescence, thermodynamic and theoretical studies on mononuclear complexes of Eu (III) with pyridine monocarboxylate-N-oxides in aqueous solution
RMR Dumpala, N Rawat, A Boda, SM Ali, BS Tomar
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 190, 150-163, 2018
102018
Complexation of thorium with pyridine monocarboxylate-N-oxides: Thermodynamic and computational studies
RMR Dumpala, N Rawat, A Boda, SM Ali, BS Tomar
The Journal of chemical thermodynamics 122, 13-22, 2018
92018
Ionic liquid as a novel partitioning media
A Boda, SM Ali, MR Shenoi, H Rao, SK Ghosh
Desalination and Water Treatment 38 (1-3), 323-331, 2012
92012
Adsorption of Gadolinium (Gd3+) Ions on the Dibenzo Crown Ether (DBCE) and Dicyclo Hexano Crown Ether (DCHCE) Grafted on the Polystyrene Surface …
P Sappidi, A Boda, SM Ali, JK Singh
The Journal of Physical Chemistry C 123 (19), 12276-12285, 2019
82019
Reduction in coordination number of Eu (III) on complexation with pyrazine mono-and di-carboxylates in aqueous medium
RMR Dumpala, A Boda, P Kumar, N Rawat, SM Ali
Inorganic chemistry 58 (16), 11180-11194, 2019
72019
Thorium decorporation efficacy of rationally-selected biocompatible compounds with relevance to human application
M Ali, B Sadhu, A Boda, N Tiwari, A Das, SKM Ali, D Bhattacharya, ...
Journal of hazardous materials 365, 952-961, 2019
72019
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