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DFT and MD simulation supplemented experiments for isotopic fractionation of zinc compounds using a macrocyclic crown ether appended polymeric resin

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (26), p.14682-14693

2020

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Ligand architectural effect on coordination, bonding, interaction, and selectivity of Am() and Ln() ions with bitopic ligands: synthesis, solvent extraction, and DFT studies

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (27), p.15448-15462

2020

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XRD, HRTEM, Raman and magnetic studies on chemically prepared nanocrystalline Fe-doped gadolinium oxide (Gd1.90Fe0.10O3−δ) annealed in vacuum

RSC advances, 2016-01, Vol.6 (8), p.6395-644

2016

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Sulphur Ligand Functionalized Carbon Nanotubes for Removal of mercury from waste water - experimental and density functional theoretical study

Separation science and technology, 2019-07, Vol.54 (10), p.1573-1587

2019

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Molecular modeling guided isotope separation of gadolinium with strong cation exchange resin using displacement chromatography

Separation science and technology, 2017-09, Vol.52 (14), p.2300-2307

2017

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Tailoring of carbon nanotubes for the adsorption of heavy metal ions: molecular dynamics and experimental investigations

Molecular systems design & engineering, 2018-12, Vol.3 (6), p.917-929

2018

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Macrocyclic host appended carbon nanotubes for selective adsorption of metal ions: combined experimental, DFT and MD studies

Molecular systems design & engineering, 2019-06, Vol.4 (3), p.616-625

2019

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Novel amidoamine functionalized multi-walled carbon nanotubes for removal of mercury(II) ions from wastewater: Combined experimental and density functional theoretical approach

Chemical engineering journal (Lausanne, Switzerland : 1996), 2017-04, Vol.313, p.899-911

2017

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DFT, MD simulations and experimental analysis of adsorptive complexation and isotope separation of gadolinium ion with macrocyclic crown ether embedded polymeric resin

Separation and purification technology, 2022-05, Vol.289, p.120709, Article 120709

2022

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Nano Cavity Induced Isotope Separation of Zinc: Density Functional Theoretical Modeling

Journal of chemical and engineering data, 2014-08, Vol.59 (8), p.2472-2484

2014

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Surface Engineering of PAMAM-SDB Chelating Resin with Diglycolamic Acid (DGA) Functional Group for Efficient Sorption of U(VI) and Th(IV) from Aqueous Medium

Journal of hazardous materials, 2017-04, Vol.328, p.1-11

2017

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Microstructural analysis and paramagnetic to ferromagnetic phase transition of chemically synthesized nanoparticles of Tb-doped ZnO

Journal of materials science, 2012-03, Vol.47 (5), p.2284-2293

2012

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Modulation of thermal conductivity and thermoelectric figure of merit by anharmonic lattice vibration in Sb2Te3 thermoelectrics

AIP advances, 2018-12, Vol.8 (12), p.125119-125119-12

2018

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Factors associated with diarrhoea in young children and incidence of symptomatic rotavirus infection in rural West Bengal, India

Epidemiology and infection, 2014-09, Vol.142 (9), p.1848-1858

2014

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The burden of cholera in the slums of Kolkata, India: data from a prospective, community based study

Archives of disease in childhood, 2005-11, Vol.90 (11), p.1175-1181

2005

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Defect induced structural and thermoelectric properties of Sb2Te3 alloy

Journal of applied physics, 2015-07, Vol.118 (4)

2015

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Molecular engineering of functionalized crown ether resins for the isotopic enrichment of gadolinium: from computer to column chromatography

Molecular systems design & engineering, 2017-12, Vol.2 (5), p.640-652

2017

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Displacement chromatography of gadolinium isotopes with strong cation exchange resin using 1,2-cyclohexanedinitrilotetraacetic acid (CDTA)

Journal of radioanalytical and nuclear chemistry, 2024-11, Vol.333 (11), p.5857-5866

2024

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Transport, magnetic and structural investigations of Co–Ni–Al shape memory alloy

Journal of alloys and compounds, 2008-05, Vol.456 (1), p.96-100

2008

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Carbon nano tubes functionalized with novel functional group- amido-amine for sorption of actinides

Journal of hazardous materials, 2018-03, Vol.345, p.63-75

2018

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Conformational effect of dicyclo-hexano-18-crown-6 on isotopic fractionation of zinc: DFT approach

AIP Conference Proceedings, 2014, Vol.1591 (1), p.1067

2014

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Evidence of improvement in thermoelectric parameters of n-type Bi2Te3/graphite nanocomposite

Journal of applied physics, 2021-02, Vol.129 (5)

2021

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Enhancement of electron mobility and thermoelectric power factor of cobalt‐doped n‐type Bi2Te3

International journal of energy research, 2022-10, Vol.46 (12), p.17029-17042

2022

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Microstructure investigation, optical properties and magnetic phase transition of Tm3+ substituted nanocrystalline ZnO (Zn0.95Tm0.05O)

2016-01

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Magneto-structural instability in Ni2Mn1.4Sb0.6 alloy

Journal of physics. Condensed matter, 2007-08, Vol.19 (34), p.346213-346213 (10)

2007

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DFT and MD simulation supplemented experiments for isotopic fractionation of zinc compounds using a macrocyclic crown ether appended polymeric resin

Ligand architectural effect on coordination, bonding, interaction, and selectivity of Am() and Ln() ions with bitopic ligands: synthesis, solvent extraction, and DFT studies

XRD, HRTEM, Raman and magnetic studies on chemically prepared nanocrystalline Fe-doped gadolinium oxide (Gd1.90Fe0.10O3−δ) annealed in vacuum

Sulphur Ligand Functionalized Carbon Nanotubes for Removal of mercury from waste water - experimental and density functional theoretical study

Molecular modeling guided isotope separation of gadolinium with strong cation exchange resin using displacement chromatography

Tailoring of carbon nanotubes for the adsorption of heavy metal ions: molecular dynamics and experimental investigations

Macrocyclic host appended carbon nanotubes for selective adsorption of metal ions: combined experimental, DFT and MD studies

Novel amidoamine functionalized multi-walled carbon nanotubes for removal of mercury(II) ions from wastewater: Combined experimental and density functional theoretical approach

DFT, MD simulations and experimental analysis of adsorptive complexation and isotope separation of gadolinium ion with macrocyclic crown ether embedded polymeric resin

Nano Cavity Induced Isotope Separation of Zinc: Density Functional Theoretical Modeling

Surface Engineering of PAMAM-SDB Chelating Resin with Diglycolamic Acid (DGA) Functional Group for Efficient Sorption of U(VI) and Th(IV) from Aqueous Medium

Microstructural analysis and paramagnetic to ferromagnetic phase transition of chemically synthesized nanoparticles of Tb-doped ZnO

Modulation of thermal conductivity and thermoelectric figure of merit by anharmonic lattice vibration in Sb2Te3 thermoelectrics

Factors associated with diarrhoea in young children and incidence of symptomatic rotavirus infection in rural West Bengal, India

The burden of cholera in the slums of Kolkata, India: data from a prospective, community based study

Defect induced structural and thermoelectric properties of Sb2Te3 alloy

Molecular engineering of functionalized crown ether resins for the isotopic enrichment of gadolinium: from computer to column chromatography

Displacement chromatography of gadolinium isotopes with strong cation exchange resin using 1,2-cyclohexanedinitrilotetraacetic acid (CDTA)

Transport, magnetic and structural investigations of Co–Ni–Al shape memory alloy

Carbon nano tubes functionalized with novel functional group- amido-amine for sorption of actinides

Conformational effect of dicyclo-hexano-18-crown-6 on isotopic fractionation of zinc: DFT approach

Evidence of improvement in thermoelectric parameters of n-type Bi2Te3/graphite nanocomposite

Enhancement of electron mobility and thermoelectric power factor of cobalt‐doped n‐type Bi2Te3

Microstructure investigation, optical properties and magnetic phase transition of Tm3+ substituted nanocrystalline ZnO (Zn0.95Tm0.05O)

Magneto-structural instability in Ni2Mn1.4Sb0.6 alloy

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