Amitava Choudhury
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View article: Pristine Nanostructured α-Ni(OH) <sub>2</sub> as a Nonenzymatic Electrochemical Strip Sensor for Trace Detection of Phenolic Compounds
Pristine Nanostructured α-Ni(OH) <sub>2</sub> as a Nonenzymatic Electrochemical Strip Sensor for Trace Detection of Phenolic Compounds Open
View article: Comparative Nitrene-Transfer Chemistry to Olefins Mediated by First-Row Transition Metal Catalysts Supported by a Pyridinophane Macrocycle with N4 Ligation
Comparative Nitrene-Transfer Chemistry to Olefins Mediated by First-Row Transition Metal Catalysts Supported by a Pyridinophane Macrocycle with N4 Ligation Open
A 12-membered pyridinophane scaffold containing two pyridine and two tertiary amine residues is examined as a prototype ligand (tBuN4) for supporting nitrene transfer to olefins. The known [(tBuN4)MII(MeCN)2]2+ (M = Mn, Fe, Co, and Ni) and…
View article: Two-dimensional graphene nanoplatelets incorporated PEO/PLA polymer mixture for the enhanced electrochemical performance of quasi-solid polymer electrolytes
Two-dimensional graphene nanoplatelets incorporated PEO/PLA polymer mixture for the enhanced electrochemical performance of quasi-solid polymer electrolytes Open
In this work, a two-dimensional graphene nanoplatelets (GNP) incorporated polymer blend of polyethylene oxide (PEO) and polylactic acid (PLA), employing their advantageous characteristics in gel polymer electrolytes (GPEs), which demonstra…
View article: Comparative analysis of structural, elastic, electronic, phonon, thermal and optical properties of two $\text{Na}_6\text{Ge}_2\text{Se}_6$ phases from first principles calculations
Comparative analysis of structural, elastic, electronic, phonon, thermal and optical properties of two $\text{Na}_6\text{Ge}_2\text{Se}_6$ phases from first principles calculations Open
The demand for new alkali metal chalcogenide materials is continuously increasing due to their potential applications across various technological fields. Recently, a new compound, $\text{Na}_6\text{Ge}_2\text{Se}_6$, was computationally p…
View article: A symmetry-oriented crystal structure prediction method for crystals with rigid bodies
A symmetry-oriented crystal structure prediction method for crystals with rigid bodies Open
We have developed an efficient crystal structure prediction (CSP) method for desired chemical compositions, specifically suited for compounds featuring recurring molecules or rigid bodies. We applied this method to two metal chalcogenides:…
View article: A Comparative Study of Cationic Copper(I) Reagents Supported by Bipodal Tetramethylguanidinyl-Containing Ligands as Nitrene-Transfer Catalysts
A Comparative Study of Cationic Copper(I) Reagents Supported by Bipodal Tetramethylguanidinyl-Containing Ligands as Nitrene-Transfer Catalysts Open
The bipodal compounds [(TMG2biphenN-R)CuI-NCMe](PF6) (R = Me, Ar (4-CF3Ph-)) and [(TMG2biphenN-Me)CuI-I] have been synthesized with ligands that featur…
View article: Nitrene-Transfer Chemistry to C–H and C═C Bonds Mediated by Triangular Coinage Metal Platforms Supported by Triply Bridging Pnictogen Elements Sb(III) and Bi(III)
Nitrene-Transfer Chemistry to C–H and C═C Bonds Mediated by Triangular Coinage Metal Platforms Supported by Triply Bridging Pnictogen Elements Sb(III) and Bi(III) Open
Tripodal ligands (TMG3trphen-E) that feature heavy pnictogen elements (E = Sb(III), Bi(III)) and tetramethylguanidinyl (TMG) arms have been explored in stabilizing Cu(I) and Ag(I) sites and facilitating nitrene-transfer chemistr…
View article: Comparative Analysis of Structural, Elastic, Electronic, Phonon, Thermal and Optical Properties of Two Na6ge2se6 Phases from First Principles Calculations
Comparative Analysis of Structural, Elastic, Electronic, Phonon, Thermal and Optical Properties of Two Na6ge2se6 Phases from First Principles Calculations Open
View article: C–H amination chemistry mediated by trinuclear Cu(<scp>i</scp>) sites supported by a ligand scaffold featuring an arene platform and tetramethylguanidinyl residues
C–H amination chemistry mediated by trinuclear Cu(<span>i</span>) sites supported by a ligand scaffold featuring an arene platform and tetramethylguanidinyl residues Open
A crown-shaped Cu 3 Cl 3 fragment captured by a ligand that features tetramethylguanidinyl residues and an apically oriented arene platform gives rise to a potent benzylic and tert -C–H bond amination catalyst via a computed dicopper nitre…
View article: CCDC 2277306: Experimental Crystal Structure Determination
CCDC 2277306: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229397: Experimental Crystal Structure Determination
CCDC 2229397: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229396: Experimental Crystal Structure Determination
CCDC 2229396: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229398: Experimental Crystal Structure Determination
CCDC 2229398: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229390: Experimental Crystal Structure Determination
CCDC 2229390: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229394: Experimental Crystal Structure Determination
CCDC 2229394: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229393: Experimental Crystal Structure Determination
CCDC 2229393: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229402: Experimental Crystal Structure Determination
CCDC 2229402: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229399: Experimental Crystal Structure Determination
CCDC 2229399: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229400: Experimental Crystal Structure Determination
CCDC 2229400: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229391: Experimental Crystal Structure Determination
CCDC 2229391: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229395: Experimental Crystal Structure Determination
CCDC 2229395: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229401: Experimental Crystal Structure Determination
CCDC 2229401: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2229392: Experimental Crystal Structure Determination
CCDC 2229392: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Cationic Divalent Metal Sites (M = Mn, Fe, Co) Operating as Both Nitrene-Transfer Agents and Lewis Acids toward Mediating the Synthesis of Three- and Five-Membered<i>N</i>-Heterocycles
Cationic Divalent Metal Sites (M = Mn, Fe, Co) Operating as Both Nitrene-Transfer Agents and Lewis Acids toward Mediating the Synthesis of Three- and Five-Membered<i>N</i>-Heterocycles Open
The tripodal compounds [(TMG3trphen)MII-solv](PF6)2 (M = Mn, Fe, Co; solv = MeCN, DMF) and bipodal analogues [(TMG2biphen)MII(NCMe)x](PF6)2…
View article: Outgassing behavior and heat treatment optimization of JSC-1A lunar regolith simulant
Outgassing behavior and heat treatment optimization of JSC-1A lunar regolith simulant Open
As NASA strives towards a long duration presence on the Moon, it has become increasingly important to learn how to better utilize resources from the lunar surface for everything from habitats, vehicle infrastructure, and chemical extractio…
View article: CSD 2219740: Experimental Crystal Structure Determination
CSD 2219740: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Topology driven and soft phonon mode enabled Na-ion diffusion in quaternary chalcogenides, Na<sub>3</sub>ZnGaX<sub>4</sub> (X = S, and Se)
Topology driven and soft phonon mode enabled Na-ion diffusion in quaternary chalcogenides, Na<sub>3</sub>ZnGaX<sub>4</sub> (X = S, and Se) Open
A shallow potential energy surface facilitated by a specific structural topology of 32 g sites key to three dimensional Na-diffusion.
View article: Gamma Polymorph of Vanadium Oxy-Selenite and its Solid-State Li-Ion Electrochemistry
Gamma Polymorph of Vanadium Oxy-Selenite and its Solid-State Li-Ion Electrochemistry Open
View article: CSD 2204428: Experimental Crystal Structure Determination
CSD 2204428: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2204429: Experimental Crystal Structure Determination
CSD 2204429: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…