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Bismuthene as a novel anode material of magnesium/zinc ion batteries with high capacity and stability: a DFT calculation

Physical chemistry chemical physics : PCCP, 2024-10, Vol.26 (42), p.27007-27018

2024

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A comparative DFT study of borophene as a promising drug delivery vehicle for carmustine and nitrosourea anti-cancer drugs

Chemical physics letters, 2024-12, Vol.856, p.141606, Article 141606

2024

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Pristine and aurum-decorated tungsten ditellurides as sensing materials for VOCs detection in exhaled human breath: DFT analysis

RSC advances, 2024-08, Vol.14 (37), p.26788-26800

2024

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Mechanistic insights into C–C coupling in electrocatalytic CO2 reduction reaction

Chemical communications (Cambridge, England), 2024-09, Vol.60 (77), p.10618-10628

2024

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Potential of Non-Contact Dynamic Response Measurements for Predicting Small Size or Hidden Damages in Highly Damped Structures

Sensors (Basel, Switzerland), 2024-09, Vol.24 (18), p.5871

2024

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Exploring novel Zn2SeX (X=S, Te) ternary chalcogenide: Studying the effect of chalcogen substitution on optoelectronic, and thermoelectric performance

Chemical physics letters, 2024-12, Vol.856, p.141626, Article 141626

2024

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Exploring novel Na4XS (X = Se, Te) materials for UV protection and photovoltaic efficiency: First-principles approach

Chemical physics letters, 2024-12, Vol.856, p.141670, Article 141670

2024

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Electronic, optical, and thermoelectric efficiency of novel Li-based ternary chalcogenides: First-principles study

Chemical physics letters, 2024-11, Vol.855, p.141565, Article 141565

2024

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First-Principles study of the electronic Structure, Optical, and thermoelectric properties of novel WSeX (X=S, Te) Chalcogenides: For energy harvesting application

Chemical physics letters, 2024-10, Vol.853, p.141523, Article 141523

2024

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First-principles study of electronic, optical, and thermoelectric properties of KMCuS3 (M = Th and Sm) quaternary chalcogenides

RSC advances, 2024-08, Vol.14 (37), p.27332-27342

2024

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A focused review on organic electrochemical transistors: A potential futuristic technological application in microelectronics

Microchemical journal, 2024-12, Vol.207, p.111737, Article 111737

2024

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Insights into bismuthene and antimonene as cisplatin drug carriers: A theoretical comparative investigation

Chemical physics, 2025-01, Vol.588, p.112460, Article 112460

2025

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Recent advances in catalytic reduction of CO2 through bismuth based MOFs

Journal of Saudi Chemical Society, 2024-11, Vol.28 (6), p.101926, Article 101926

2024

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Exploring the ON/OFF nonlinear optical (NLO) response in tetracene-based chromophores: A DFT study on solvent and frequency-dependent NLO properties for switching applications

Journal of molecular liquids, 2024-10, Vol.411, p.125730, Article 125730

2024

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Design of Manganese‐Doped Zinc Oxide Nanoparticles as Effective Electrocatalytic System in Oxygen Reduction Reactions

Applied organometallic chemistry, 2024-11, Vol.38 (11), p.n/a

2024

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An Overview of Bioactive Compounds' Role in Modulating the Nrf2/Keap1/NF-κB Pathway to Alleviate Lipopolysaccharide-Induced Endometritis

International journal of molecular sciences, 2024-10, Vol.25 (19), p.10319

2024

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Engineered hybrid iron‐cobalt metal oxide nanoparticles for effective adsorption of malachite green dye

Journal of chemical technology and biotechnology (1986), 2024-08

2024

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Recent Developments on Novel 2D Materials for Emerging Neuromorphic Computing Devices

Small structures, 2024-10

2024

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Exploration of Specific Fluoroquinolone Interaction with SARS-CoV-2 Main Protease (Mpro) to Battle COVID-19: DFT, Molecular Docking, ADME and Cardiotoxicity Studies

Molecules (Basel, Switzerland), 2024-10, Vol.29 (19), p.4721

2024

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Deciphering intersystem crossing and energy transfer mechanisms in a nonacoordinated ternary europium(iii) complex: a combined spectroscopic and theoretical study

RSC advances, 2024-10, Vol.14 (44), p.32573-32582

2024

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Computational analysis of variant in tyrosinase protein using molecular dynamic simulation: An in silico approach

Results in Chemistry, 2024-10, Vol.11, p.101779, Article 101779

2024

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Flow and heat transfer insights into a chemically reactive micropolar Williamson ternary hybrid nanofluid with cross-diffusion theory

Nanotechnology reviews (Berlin), 2024-09, Vol.13 (1), p.012068-8

2024

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The development of anti-freezing and anti-evaporating conductive organohydrogel for flexible strain-sensing electronic devices

RSC advances, 2024-09, Vol.14 (42), p.30886-30895

2024

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Fundamental Challenges and Complexities of Damage Identification from Dynamic Response in Plate Structures

Applied sciences, 2024-09, Vol.14 (18), p.8230

2024

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Open-Path Cavity Ring-Down Spectroscopy for Simultaneous Detection of Hydrogen Chloride and Particles in Cleanroom Environment

Sensors (Basel, Switzerland), 2024-08, Vol.24 (17), p.5611

2024

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Bismuthene as a novel anode material of magnesium/zinc ion batteries with high capacity and stability: a DFT calculation

A comparative DFT study of borophene as a promising drug delivery vehicle for carmustine and nitrosourea anti-cancer drugs

Pristine and aurum-decorated tungsten ditellurides as sensing materials for VOCs detection in exhaled human breath: DFT analysis

Mechanistic insights into C–C coupling in electrocatalytic CO2 reduction reaction

Potential of Non-Contact Dynamic Response Measurements for Predicting Small Size or Hidden Damages in Highly Damped Structures

Exploring novel Zn2SeX (X=S, Te) ternary chalcogenide: Studying the effect of chalcogen substitution on optoelectronic, and thermoelectric performance

Exploring novel Na4XS (X = Se, Te) materials for UV protection and photovoltaic efficiency: First-principles approach

Electronic, optical, and thermoelectric efficiency of novel Li-based ternary chalcogenides: First-principles study

First-Principles study of the electronic Structure, Optical, and thermoelectric properties of novel WSeX (X=S, Te) Chalcogenides: For energy harvesting application

First-principles study of electronic, optical, and thermoelectric properties of KMCuS3 (M = Th and Sm) quaternary chalcogenides

A focused review on organic electrochemical transistors: A potential futuristic technological application in microelectronics

Insights into bismuthene and antimonene as cisplatin drug carriers: A theoretical comparative investigation

Recent advances in catalytic reduction of CO2 through bismuth based MOFs

Exploring the ON/OFF nonlinear optical (NLO) response in tetracene-based chromophores: A DFT study on solvent and frequency-dependent NLO properties for switching applications

Design of Manganese‐Doped Zinc Oxide Nanoparticles as Effective Electrocatalytic System in Oxygen Reduction Reactions

An Overview of Bioactive Compounds' Role in Modulating the Nrf2/Keap1/NF-κB Pathway to Alleviate Lipopolysaccharide-Induced Endometritis

Engineered hybrid iron‐cobalt metal oxide nanoparticles for effective adsorption of malachite green dye

Recent Developments on Novel 2D Materials for Emerging Neuromorphic Computing Devices

Exploration of Specific Fluoroquinolone Interaction with SARS-CoV-2 Main Protease (Mpro) to Battle COVID-19: DFT, Molecular Docking, ADME and Cardiotoxicity Studies

Deciphering intersystem crossing and energy transfer mechanisms in a nonacoordinated ternary europium(iii) complex: a combined spectroscopic and theoretical study

Computational analysis of variant in tyrosinase protein using molecular dynamic simulation: An in silico approach

Flow and heat transfer insights into a chemically reactive micropolar Williamson ternary hybrid nanofluid with cross-diffusion theory

The development of anti-freezing and anti-evaporating conductive organohydrogel for flexible strain-sensing electronic devices

Fundamental Challenges and Complexities of Damage Identification from Dynamic Response in Plate Structures

Open-Path Cavity Ring-Down Spectroscopy for Simultaneous Detection of Hydrogen Chloride and Particles in Cleanroom Environment

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