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Top Articles

#TitleJournalYearCitations
1Dyes adsorption using clay and modified clay: A reviewJournal of Molecular Liquids2018592
2Designing Three‐dimensional (3D) Non‐Fullerene Small Molecule Acceptors with Efficient Photovoltaic ParametersChemistrySelect2018119
3Porous Eleocharis@MnPE Layered Hybrid for Synergistic Adsorption and Catalytic Biodegradation of Toxic Azo Dyes from Industrial WastewaterEnvironmental Science & Technology2019102
4Opto-electronic properties of non-fullerene fused-undecacyclic electron acceptors for organic solar cellsComputational Materials Science2019102
5Current and Emerging Adsorbent Technologies for Wastewater Treatment: Trends, Limitations, and Environmental ImplicationsWater (Switzerland)2021100
6Advancements in electrochemical sensing of hydrogen peroxide, glucose and dopamine by using 2D nanoarchitectures of layered double hydroxides or metal dichalcogenides. A reviewMikrochimica Acta201991
7Designing indacenodithiophene based non-fullerene acceptors with a donor–acceptor combined bridge for organic solar cellsRSC Advances201983
8Electrochemical Production of Sustainable Hydrocarbon Fuels from CO2 Co-electrolysis in Eutectic Molten MeltsACS Sustainable Chemistry and Engineering202082
9Designing alkoxy-induced based high performance near infrared sensitive small molecule acceptors for organic solar cellsJournal of Molecular Liquids202076
10Benchmark study of the linear and nonlinear optical polarizabilities in proto-type NLO molecule of para-nitroanilineJournal of Theoretical and Computational Chemistry201974
11Development of fullerene free acceptors molecules for organic solar cells: A step way forward toward efficient organic solar cellsComputational and Theoretical Chemistry201965
12Characterization of <i>Moringa oleifera</i> seed oil from drought and irrigated regions of Punjab, PakistanGrasas Y Aceites200663
13Subcritical and supercritical water oxidation for dye decompositionJournal of Environmental Management202160
14Designing dithienothiophene (DTT)-based donor materials with efficient photovoltaic parameters for organic solar cellsJournal of Molecular Modeling201958
15Tuning opto-electronic properties of alkoxy-induced based electron acceptors in infrared region for high performance organic solar cellsJournal of Molecular Liquids202058
16Exploring the new potential antiviral constituents of Moringa oliefera for SARS-COV-2 pathogenesis: An in silico molecular docking and dynamic studiesChemical Physics Letters202158
17Recent developments for antimicrobial applications of graphene-based polymeric composites: A reviewJournal of Industrial and Engineering Chemistry202157
18A comprehensive review of template-assisted porous carbons: Modern preparation methods and advanced applicationsMaterials Science and Engineering Reports202257
19In Vivo and In Vitro Monitoring of Amyloid Aggregation via BSA@FGQDs Multimodal ProbeACS Sensors201954
20Green synthesis, characterization and photocatalytic applications of silver nanoparticles using Diospyros lotusGreen Processing and Synthesis202054
21Characterization and deployment of surface-engineered chitosan-triethylenetetramine nanocomposite hybrid nano-adsorbent for divalent cations decontaminationInternational Journal of Biological Macromolecules202054
22Designing dithienonaphthalene based acceptor materials with promising photovoltaic parameters for organic solar cellsRSC Advances201952
23Designing of non-fullerene 3D star-shaped acceptors for organic solar cellsJournal of Molecular Modeling201947
24UV-Accelerated Photocatalytic Degradation of Pesticide over Magnetite and Cobalt Ferrite Decorated Graphene Oxide CompositePlants202143
25Coal fly ash supported CoFe2O4 nanocomposites: Synergetic Fenton-like and photocatalytic degradation of methylene blueEnvironmental Research202238
26Surface-enhanced Raman spectroscopy for the identification of tigecycline-resistant E. coli strainsSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy202137
27A perspective on possible amendments in semiconductors for enhanced photocatalytic hydrogen generation by water splittingInternational Journal of Hydrogen Energy202136
28Bimetallic NiCo–NiCoO2 nano-heterostructures embedded on copper foam as a self-supported bifunctional electrode for water oxidation and hydrogen production in alkaline mediaInternational Journal of Hydrogen Energy202135
29Exploring the impact of central core modifications among several push-pull configurations to enhance nonlinear optical responseJournal of Molecular Graphics and Modelling202034
30G-C3N4/Ag@CoWO4: A novel sunlight active ternary nanocomposite for potential photocatalytic degradation of rhodamine B dyeJournal of Physics and Chemistry of Solids202234
31Epigallocatechin gallate: Phytochemistry, bioavailability, utilization challenges, and strategiesJournal of Food Biochemistry202234
32Single-Pot Synthesis of Biodiesel using Efficient Sulfonated-Derived Tea Waste-Heterogeneous CatalystMaterials201933
33Exploring the optoelectronic and third-order nonlinear optical susceptibility of cross-shaped molecules: insights from molecule to material levelJournal of Molecular Modeling202133
34Theoretical study on hydrogen storage capacity of expanded h-BN systemsComputational Materials Science201732
35Evolution of photovoltaic and photocatalytic activity in anatase-TiO2 under visible light via simplistic deposition of CdS and PbS quantum-dotsMaterials Chemistry and Physics201932
36Efficient pyrolysis of ginkgo biloba leaf residue and pharmaceutical sludge (mixture) with high production of clean energy: Process optimization by particle swarm optimization and gradient boosting decision tree algorithmBioresource Technology202032
37Inhibitory effect of polyphenols (phenolic acids, lignans, and stilbenes) on cancer by regulating signal transduction pathways: a reviewClinical and Translational Oncology202232
38Effect of different topological structures (D-π-D and D-π-A-π-D) on the optoelectronic properties of benzo[2,1-B:3,4-B́]dithiophene based donor molecules toward organic solar cellsSolar Energy201931
39Chemically Modified Quinoidal Oligothiophenes for Enhanced Linear and Third-Order Nonlinear Optical PropertiesACS Omega202131
40Theoretical and computational study on electronic effect caused by electron withdrawing/electron-donating groups upon the coumarin thiourea derivativesComputational and Theoretical Chemistry202129
41Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studiesBioorganic and Medicinal Chemistry Letters202129
42Nano-Elicitation as an Effective and Emerging Strategy for In Vitro Production of Industrially Important FlavonoidsApplied Sciences (Switzerland)202128
43DFT study of superhalogen-doped borophene with enhanced nonlinear optical propertiesJournal of Molecular Modeling202128
44Computational investigation of a covalent triazine framework (CTF-0) as an efficient electrochemical sensorRSC Advances202228
45Advanced Ag/rGO/TiO2 ternary nanocomposite based photoanode approaches to highly-efficient plasmonic dye-sensitized solar cellsOptics Communications201927
46Sol–Gel Synthesis of Mesoporous Silica–Iron Composite: Kinetics, Equilibrium and Thermodynamics Studies for the Adsorption of Turquoise-Blue X-GB DyeZeitschrift Fur Physikalische Chemie202026
47Designing of Inorganic Al12N12 Nanocluster with Fe, Co, Ni, Cu and Zn Metals for Efficient Hydrogen Storage MaterialsJournal of Computational Biophysics and Chemistry202126
48Rapid and sensitive discrimination among carbapenem resistant and susceptible E. coli strains using Surface Enhanced Raman Spectroscopy combined with chemometric toolsPhotodiagnosis and Photodynamic Therapy202126
49DFT Study for the Spectroscopic and Structural Analysis of p-DimethylaminoazobenzeneJournal of Spectroscopy201825
50Benchmark study of benzamide derivatives and four novel theoretically designed (L1, L2, L3, and L4) ligands and evaluation of their biological properties by DFT approachesJournal of Molecular Modeling201925