Chemical Physics Impact

Title Publication Date Language Citations
Structural benchmarking, density functional theory simulation, spectroscopic investigation and molecular docking of N-(1H-pyrrol-2-yl) methylene)-4-methylaniline as castration-resistant prostate cancer chemotherapeutic agent2022/12/01English79
Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment2022/06/01English60
Hydrogen storage capacity of C12X12 (X = N, P, and Si)2022/12/01English45
Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone2022/12/01English31
Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents2022/12/01English29
Enhanced photovoltaic performance of dye-sensitized solar cells-based Carica papaya leaf and black cherry fruit co-sensitizers2021/06/01English28
A comprehensive approach to antifouling strategies in desalination, marine environment, and wastewater treatment2021/06/01English27
Green fabrication of titanium dioxide nanoparticles and their applications in photocatalytic dye degradation and microbial activities2023/06/01English21
Statistical optimization of bio-mediated silver nanoparticles synthesis for use in catalytic degradation of some azo dyes2021/12/01English20
Nanocatalyst in remediating environmental pollutants2022/06/01English20
Adsorption and gas-sensing investigation of oil dissolved gases onto nitrogen and sulfur doped graphene quantum dots2023/12/01English19
Plasmonic enhancement of visible light absorption in Ag-TiO2 based dye-sensitized solar cells2021/12/01English19
Modeling of Re(I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR2022/12/01English19
Detection of hydrogen fluoride (HF) gas by Mg12O11-X (X = S, P, N, and B) nanosurfaces2022/12/01English19
Predicting the antioxidant activity of some flavonoids of Arbutus plant: A theoretical approach2020/12/01English18
Photocatalytic and antibacterial activity of Yttrium doped TiO2 nanostructure2022/12/01English16
Drug targets, mechanisms of drug action, and therapeutics against SARS-CoV-22021/06/01English16
Dye degradation and antimicrobial applications of manganese ferrite nanoparticles synthesized by plant extracts2022/12/01English15
Tuning the hydrophobicity of MOF sponge for efficient oil/water separation2020/12/01English15
Structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), effect of polar (DMSO, EtOH, H2O) solvation, and libido-enhancing potential of resveratrol by molecular docking2023/12/01English15
Adsorption and possibility of separation of heavy metal cations by strong cation exchange resin2021/12/01English15
Recent advancements in practices related to desalination by means of nanotechnology2021/06/01English14
Structural (monomer and dimer), spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and solvent effect (polar and nonpolar) studies of 2‑methoxy-4-vinyl phenol2023/12/01English14
Influence of defects on the structural, optical, photoluminescence and magnetic properties of Cr/Mn dual doped ZnO nanostructures2021/06/01English13
Facile preparation of Nb2O5/TiO2 heterostructures for photocatalytic application2022/06/01English13
Fruit peels pigment extracts as a photosensitizer in ZnO-based Dye-Sensitized Solar Cells2021/12/01English13
Functionalized boron doped graphene (BGP) as smart nanocarrier for delivery of hydroxyurea (HU) drug2023/12/01English13
Synthesis, characterization and biological applications of cobalt oxide (Co3O4) nanoparticles2023/06/01English13
Phyllanthus emblica seed extract as corrosion inhibitor for stainless steel used in petroleum industry (SS-410) in acidic medium2021/12/01English12
Investigating the potential of thiazolyl carbohydrazides derivatives as anti-Candida albicans agents: An intuition from molecular modelling, pharmacokinetic evaluation, and molecular docking analysis2023/12/01English12