Highest Occupied Molecular Orbital (homo) - Catalysis

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Correlation of physicochemical properties with antioxidant activity in phenol and thiophenol analogues.

Issue Release: 2025

Ternary nanostructure of CdS-rGO-Ag for enhanced photoelectrochemical application.

Issue Release: 2024

Electron-Accelerator-Induced Fast Electron Transfer for Enhancing Electrochemiluminescence of Gold Nanoclusters and Its Bioanalysis Application: A Novel Avenue for Developing High-Efficient Emitters.

Issue Release: 2024

Cobalt-based Polymerized Porphyrinic Network for Visible-light-driven CO Reduction.

Issue Release: 2024

Synthesis of Aza[]helicenes up to = 19: Hydrogen-Bond-Assisted Solubility and Benzannulation Strategy.

Issue Release: 2024

Identification of novel CA IX inhibitor: Pharmacophore modeling, docking, DFT, and dynamic simulation.

Issue Release: 2024

Synthesis and theoretical study of a mixed-ligand indium(III) complex for fabrication of β-InS thin films chemical vapor deposition.

Issue Release: 2024

Observation of SOMO-HOMO Inversion in a Neutral Polycyclic Conjugated Hydrocarbon.

Issue Release: 2024

Wide Bandgap Polymer Donors Based on Succinimide-Substituted Thiophene for Non-Fullerene Organic Solar Cells.

Issue Release: 2024

Intramolecular Charge Transfer and Stimuli-Responsive Emission in Cholesterol-Appended Phenothiazine-Cyanostyryl-Based Donor-Acceptor Systems.

Issue Release: 2024

Exploring Nano-optical Molecular Switch Systems for Potential Electronic Devices: Understanding Electric and Electronic Properties through DFT-QTAIM Assembly.

Issue Release: 2024

Multi-channel electron transfer induced by polyvanadate in metal-organic framework for boosted peroxymonosulfate activation.

Issue Release: 2024

Energy Level Tuning in CsPbBr Perovskite Solar Cells through In Situ-Polymerized PEDOT Hole Transport Layer.

Issue Release: 2024

COMPUTATIONAL DESIGN OF 3D LANTERN ORGANIC FRAMEWORK.

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Photo- and Electrocatalytic Hydrogen Evolution by Heteroleptic Dirhodium(II,II) Complexes: Role of the Bridging and Diimine Ligands.

Issue Release: 2024

Effect of Electron-Donating Substituents and an Electric Field on the Δ of Selected Imidazopyridine Derivatives: A DFT Study.

Issue Release: 2024

Inhibition of DRP-1 mitochondrial mitophagy and fission by novel α-aminophosphonates bearing pyridine: synthesis, biological evaluations, and computer-aided design.

Issue Release: 2024

Enhancing Comprehensive Performance via Capturing and Scattering the Carriers inside PESU-Based Nanocomposite Film Capacitors.

Issue Release: 2024

Aqueous Processed All-Polymer Solar Cells with High Open-Circuit Voltage Based on Low-Cost Thiophene-Quinoxaline Polymers.

Issue Release: 2024

Donor engineering of a benzothiadiazole-based D-A-D-type molecular semiconductor for perovskite solar cells: a theoretical study.

Issue Release: 2024

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