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Oxygen and moisture-induced healing of halide double perovskite surface defects

The Journal of chemical physics, 2023-08, Vol.159 (8)

2023

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Towards the discovery of potential RdRp inhibitors for the treatment of COVID-19: structure guided virtual screening, computational ADME and molecular dynamics study

Structural chemistry, 2022-10, Vol.33 (5), p.1569-1583

2022

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Investigation of ordered dispersive effect, charge density, thermal properties and disappearance of spin polarization in perovskite CsBeO3 under the influence of pressure-A DFT perspective

Chemical physics impact, 2024-06, Vol.8, p.100553, Article 100553

2024

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Ab Initio Discovery of Stable Double Perovskite Oxides Na2BIO6 (B = Bi, In) with Promising Optoelectronic Properties

The journal of physical chemistry letters, 2020-07, Vol.11 (13), p.5148-5155

2020

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Biodegradable polymeric nanoparticles for oral delivery of epirubicin: In vitro, ex vivo, and in vivo investigations

Colloids and surfaces, B, Biointerfaces, 2015-04, Vol.128, p.448-456

2015

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Group V Elemental 2D Materials as Promising Passivating and Carrier Selective Layer for Si Photovoltaic Devices

Journal of physical chemistry. C, 2024-08, Vol.128 (31), p.13339-13346

2024

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Novel Two-Dimensional MA2N4 Materials for Photovoltaic and Spintronic Applications

The journal of physical chemistry letters, 2021-10, Vol.12 (41), p.10120-10127

2021

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Reliable Prediction of New Quantum Materials for Topological and Renewable-Energy Applications: A High-Throughput Screening

The journal of physical chemistry letters, 2020-08, Vol.11 (15), p.6364-6372

2020

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Lattice Dynamics and Electron-Phonon Coupling in Lead-Free Cs2AgIn1-xBixCl6 Double Perovskite Nanocrystals

The journal of physical chemistry letters, 2020-03, Vol.11 (6), p.2113-2120

2020

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Large magnetocaloric effect and exchange bias properties in Mn-Ni-Co-Sn full Heusler alloy

Journal of alloys and compounds, 2024-05, Vol.983, p.173908, Article 173908

2024

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Photoinduced quasi-2D to 3D phase transformation in hybrid halide perovskite nanoplatelets

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (48), p.27355-27364

2021

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Bismuth based half-Heusler alloys with giant thermoelectric figures of merit

Journal of materials chemistry. A, Materials for energy and sustainability, 2017-03, Vol.5 (13), p.6131-6139

2017

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Enhanced Visible Light Absorption in Layered Cs3Bi2Br9 Halide Perovskites: Heterovalent Pb2+ Substitution-Induced Defect Band Formation

Journal of physical chemistry. C, 2020-09, Vol.124 (36), p.19484-19491

2020

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Accelerated Discovery of New 8‑Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials

Journal of physical chemistry. C, 2019-03, Vol.123 (12), p.7074-7080

2019

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Structural, magnetic and transport properties of FeRuVZ (Z = Si, Ge) Heusler alloys: Experiment and theory

Journal of alloys and compounds, 2024-09, Vol.1000, p.175020, Article 175020

2024

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Multifaceted bioactivity of thiosemicarbazide derivatives: Synthesis, characterization, and DFT investigations on inhibition of α-amylase, hydroxyl radical scavenging, and iron chelating activities with molecular docking insights

Journal of molecular structure, 2024-05, Vol.1304, p.137669, Article 137669

2024

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Thiosemicarbazone derivatives as potent antidiabetic agents: Synthesis, in vitro, molecular docking and DFT investigations

Journal of molecular structure, 2024-09, Vol.1311, p.138459, Article 138459

2024

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Synthesis of novel 2-mercapto-1,3,4-oxadiazole derivatives as potent urease inhibitors: In vitro and in silico investigations

Journal of molecular structure, 2024-09, Vol.1312, p.138596, Article 138596

2024

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Quasi-2D Carrier Transport in KMgBi for Promising Thermoelectric Performance

ACS applied energy materials, 2022-07, Vol.5 (7), p.9141-9148

2022

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HaHc (Hydroxylamine Hydrochloride) Assisted Dual Surface Passivation via Charge Neutralization and Coordination Bond Formation of Cs2AgBiBr6 Double Perovskite for Solar Cell Application

Journal of physical chemistry. C, 2024-01, Vol.128 (3), p.1024-1033

2024

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Spontaneous Ion Migration via Mechanochemical Ultrasonication in Mixed Halide Perovskite Phase Formation: Experimental and Theoretical Insights

The journal of physical chemistry letters, 2021-02, Vol.12 (4), p.1189-1194

2021

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Discovering the anti-diabetic potential of thiosemicarbazone derivatives: In vitro α-glucosidase, α-amylase inhibitory activities with molecular docking and DFT investigations

Journal of molecular structure, 2024-09, Vol.1312, p.138671, Article 138671

2024

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Exploring the synthesis, molecular structure and biological activities of novel Bis-Schiff base derivatives: A combined theoretical and experimental approach

Journal of molecular structure, 2024-06, Vol.1306, p.137828, Article 137828

2024

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Quasi-2D PdSi2–x Ge x N4 (x = 0, 1, 2): Promising Candidates for Spontaneous Overall Water Splitting

ACS applied energy materials, 2023-07, Vol.6 (14), p.7578-7586

2023

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Flurbiprofen clubbed schiff's base derivatives as potent anticancer agents: In Vitro and In Silico approach towards breast cancer

Journal of molecular structure, 2025-02, Vol.1321, p.139743, Article 139743

2025

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Oxygen and moisture-induced healing of halide double perovskite surface defects

Towards the discovery of potential RdRp inhibitors for the treatment of COVID-19: structure guided virtual screening, computational ADME and molecular dynamics study

Investigation of ordered dispersive effect, charge density, thermal properties and disappearance of spin polarization in perovskite CsBeO3 under the influence of pressure-A DFT perspective

Ab Initio Discovery of Stable Double Perovskite Oxides Na2BIO6 (B = Bi, In) with Promising Optoelectronic Properties

Biodegradable polymeric nanoparticles for oral delivery of epirubicin: In vitro, ex vivo, and in vivo investigations

Group V Elemental 2D Materials as Promising Passivating and Carrier Selective Layer for Si Photovoltaic Devices

Novel Two-Dimensional MA2N4 Materials for Photovoltaic and Spintronic Applications

Reliable Prediction of New Quantum Materials for Topological and Renewable-Energy Applications: A High-Throughput Screening

Lattice Dynamics and Electron-Phonon Coupling in Lead-Free Cs2AgIn1-xBixCl6 Double Perovskite Nanocrystals

Large magnetocaloric effect and exchange bias properties in Mn-Ni-Co-Sn full Heusler alloy

Photoinduced quasi-2D to 3D phase transformation in hybrid halide perovskite nanoplatelets

Bismuth based half-Heusler alloys with giant thermoelectric figures of merit

Enhanced Visible Light Absorption in Layered Cs3Bi2Br9 Halide Perovskites: Heterovalent Pb2+ Substitution-Induced Defect Band Formation

Accelerated Discovery of New 8‑Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials

Structural, magnetic and transport properties of FeRuVZ (Z = Si, Ge) Heusler alloys: Experiment and theory

Multifaceted bioactivity of thiosemicarbazide derivatives: Synthesis, characterization, and DFT investigations on inhibition of α-amylase, hydroxyl radical scavenging, and iron chelating activities with molecular docking insights

Thiosemicarbazone derivatives as potent antidiabetic agents: Synthesis, in vitro, molecular docking and DFT investigations

Synthesis of novel 2-mercapto-1,3,4-oxadiazole derivatives as potent urease inhibitors: In vitro and in silico investigations

Quasi-2D Carrier Transport in KMgBi for Promising Thermoelectric Performance

HaHc (Hydroxylamine Hydrochloride) Assisted Dual Surface Passivation via Charge Neutralization and Coordination Bond Formation of Cs2AgBiBr6 Double Perovskite for Solar Cell Application

Spontaneous Ion Migration via Mechanochemical Ultrasonication in Mixed Halide Perovskite Phase Formation: Experimental and Theoretical Insights

Discovering the anti-diabetic potential of thiosemicarbazone derivatives: In vitro α-glucosidase, α-amylase inhibitory activities with molecular docking and DFT investigations

Exploring the synthesis, molecular structure and biological activities of novel Bis-Schiff base derivatives: A combined theoretical and experimental approach

Quasi-2D PdSi2–x Ge x N4 (x = 0, 1, 2): Promising Candidates for Spontaneous Overall Water Splitting

Flurbiprofen clubbed schiff's base derivatives as potent anticancer agents: In Vitro and In Silico approach towards breast cancer

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