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First‐principles prediction of Si‐doped Fe carbide as one of the possible constituents of Earth's inner core

Geophysical research letters, 2017-09, Vol.44 (17), p.8776-8784

2017

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Understanding complex multiple sublattice magnetism in double double perovskites

Scientific reports, 2021-11, Vol.11 (1), p.21764-21764, Article 21764

2021

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Incorporation of a Biocompatible Nanozyme in Cellular Antioxidant Enzyme Cascade Reverses Huntington's Like Disorder in Preclinical Model

Advanced healthcare materials, 2021-04, Vol.10 (7), p.e2001736-n/a

2021

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Light‐induced excited spin‐state trapping in spin crossover model system

International journal of quantum chemistry, 2020-03, Vol.120 (6), p.n/a

2020

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Magnetism in Ca2CoOsO6 and Ca2NiOsO6: Unraveling the Mystery of Superexchange Interactions between 3d and 5d Ions

Chemistry of materials, 2016-06, Vol.28 (11), p.3666-3675

2016

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In vitro and Microbiological Assay of Functionalized Hybrid Nanomaterials To Validate Their Efficacy in Nanotheranostics: A Combined Spectroscopic and Computational Study

ChemMedChem, 2021-12, Vol.16 (24), p.3739-3749

2021

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Double perovskites with 3d and 4d/5d transition metals: compounds with promises

Materials research express, 2020-01, Vol.7 (1), p.14003

Saha-Dasgupta, Tanusri

2020

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Host‐Assisted Delivery of a Model Drug to Genomic DNA: Key Information from Ultrafast Spectroscopy and in silico Study

Chembiochem : a European journal of chemical biology, 2022-05, Vol.23 (9), p.e202200109-n/a

2022

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The Fascinating World of Low-Dimensional Quantum Spin Systems: Ab Initio Modeling

Molecules (Basel, Switzerland), 2021-03, Vol.26 (6), p.1522

Saha-Dasgupta, Tanusri

2021

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Understanding and prediction of quantum materials via modelling and computation

Bulletin of materials science, 2021-12, Vol.44 (4), p.270, Article 270

SAHA DASGUPTA, TANUSRI

2021

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Magnetism and unconventional topology in LaCoO3/SrIrO3 heterostructure

Applied physics letters, 2023-01, Vol.122 (2)

2023

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Orbital-selective superconductivity in a two-band model of infinite-layer nickelates

Physical review. B, 2020-09, Vol.102 (10), Article 100501

2020

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Regio- and stereoselectivity of the 1,3-dipolar cycloaddition of azomethine ylides to (E)-3-(2-oxo-2-(pyren-1-yl)ethylidene)indolin-2-ones: A combined experimental and theoretical study

Arabian journal of chemistry, 2022-06, Vol.15 (6), p.103855, Article 103855

2022

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First principles study of bimetallic Ni13−nAgn nano-clusters (n = 0–13): Structural, mixing, electronic, and magnetic properties

The Journal of chemical physics, 2017-04, Vol.146 (16), p.164301-164301

2017

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Ferromagnetism at Room Temperature Induced by Spin Structure Change in BiFe1−xCoxO3 Thin Films

Advanced materials (Weinheim), 2017-03, Vol.29 (9), p.n/a

2017

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Unprecedented Regio- and Stereoselective Synthesis of Pyrene-Grafted Dispiro[indoline-3,2′-pyrrolidine-3′,3″-indolines]: Expedient Experimental and Theoretical Insights into Polar [3 + 2] Cycloaddition

ACS omega, 2020-09, Vol.5 (37), p.24081-24094

2020

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Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study

Applied surface science, 2020-12, Vol.533, p.147513, Article 147513

2020

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A Reduction in Particle Size Generally Causes Body-Centered-Cubic Metals to Expand but Face-Centered-Cubic Metals to Contract

ACS nano, 2018-07, Vol.12 (7), p.7246-7252

2018

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Plasticity-mediated collapse and recrystallization in hollow copper nanowires: a molecular dynamics simulation

Beilstein journal of nanotechnology, 2016, Vol.7 (1), p.228-235

2016

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The Critical Role of Stereochemically Active Lone Pair in Introducing High Temperature Ferroelectricity

Inorganic chemistry, 2021-03, Vol.60 (6), p.4068-4075

2021

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Machine-learning-assisted prediction of magnetic double perovskites

Physical review materials, 2019-08, Vol.3 (8), Article 084418

2019

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Reversible photoswitching of spiropyran in biomolecular interfaces: A combined spectroscopy and computational study

Journal of photochemistry and photobiology. A, Chemistry., 2022-09, Vol.430, p.113958, Article 113958

2022

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Ni Doping: A Viable Route to Make Body-Centered-Cubic Fe Stable at Earth’s Inner Core

Minerals (Basel), 2021-03, Vol.11 (3), p.258

2021

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Multistep approach to microscopic models for frustrated quantum magnets: the case of the natural mineral azurite

Physical review letters, 2011-05, Vol.106 (21), p.217201-217201, Article 217201

2011

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Design and Control of Cooperativity in Spin-Crossover in Metal–Organic Complexes: A Theoretical Overview

Inorganics, 2017-09, Vol.5 (3), p.47

2017

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First‐principles prediction of Si‐doped Fe carbide as one of the possible constituents of Earth's inner core

Understanding complex multiple sublattice magnetism in double double perovskites

Incorporation of a Biocompatible Nanozyme in Cellular Antioxidant Enzyme Cascade Reverses Huntington's Like Disorder in Preclinical Model

Light‐induced excited spin‐state trapping in spin crossover model system

Magnetism in Ca2CoOsO6 and Ca2NiOsO6: Unraveling the Mystery of Superexchange Interactions between 3d and 5d Ions

In vitro and Microbiological Assay of Functionalized Hybrid Nanomaterials To Validate Their Efficacy in Nanotheranostics: A Combined Spectroscopic and Computational Study

Double perovskites with 3d and 4d/5d transition metals: compounds with promises

Host‐Assisted Delivery of a Model Drug to Genomic DNA: Key Information from Ultrafast Spectroscopy and in silico Study

The Fascinating World of Low-Dimensional Quantum Spin Systems: Ab Initio Modeling

Understanding and prediction of quantum materials via modelling and computation

Magnetism and unconventional topology in LaCoO3/SrIrO3 heterostructure

Orbital-selective superconductivity in a two-band model of infinite-layer nickelates

Regio- and stereoselectivity of the 1,3-dipolar cycloaddition of azomethine ylides to (E)-3-(2-oxo-2-(pyren-1-yl)ethylidene)indolin-2-ones: A combined experimental and theoretical study

First principles study of bimetallic Ni13−nAgn nano-clusters (n = 0–13): Structural, mixing, electronic, and magnetic properties

Ferromagnetism at Room Temperature Induced by Spin Structure Change in BiFe1−xCoxO3 Thin Films

Unprecedented Regio- and Stereoselective Synthesis of Pyrene-Grafted Dispiro[indoline-3,2′-pyrrolidine-3′,3″-indolines]: Expedient Experimental and Theoretical Insights into Polar [3 + 2] Cycloaddition

Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study

A Reduction in Particle Size Generally Causes Body-Centered-Cubic Metals to Expand but Face-Centered-Cubic Metals to Contract

Plasticity-mediated collapse and recrystallization in hollow copper nanowires: a molecular dynamics simulation

The Critical Role of Stereochemically Active Lone Pair in Introducing High Temperature Ferroelectricity

Machine-learning-assisted prediction of magnetic double perovskites

Reversible photoswitching of spiropyran in biomolecular interfaces: A combined spectroscopy and computational study

Ni Doping: A Viable Route to Make Body-Centered-Cubic Fe Stable at Earth’s Inner Core

Multistep approach to microscopic models for frustrated quantum magnets: the case of the natural mineral azurite

Design and Control of Cooperativity in Spin-Crossover in Metal–Organic Complexes: A Theoretical Overview

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