Mahmoud A.S. Sakr

Spectroscopic investigation, DFT, NBO and TD-DFT calculation for porphyrin (PP) and porphyrin-based materials (PPBMs)

Mahmoud A.S. Sakr, Mohamed A. Saad · Journal of Molecular Structure · 2022 · 52 citations

Td-dft Calculation, Inorganic Chemistry, Chemical Engineering +11

Chemically modified covalent organic frameworks for a healthy and sustainable environment: First-principles study

Mohamed A. Saad, Mahmoud A.S. Sakr, Vasil A. Saroka et al. · Chemosphere · 2022 · 41 citations

Organic Material Chemistry, Chemical Engineering, Engineering +13

Nanoporous graphene quantum dots constructed from nanoribbon superlattices with controllable pore morphology and size for wastewater treatment

Hazem Abdelsalam, Mahmoud A.S. Sakr, Vasil A. Saroka et al. · Surfaces and Interfaces · 2023 · 38 citations

Materials Science, Graphene Nanomeshes, Chemical Engineering +11

Spectroscopic investigation, DFT and TD-DFT calculations of 7-(Diethylamino) Coumarin (C466)

Sayed A. Abdel Gawad, Mahmoud A.S. Sakr · Journal of Molecular Structure · 2021 · 29 citations

Td-dft Calculations, Engineering, Natural Sciences +10

First-Principles Study of MoS2, WS2, and NbS2 Quantum Dots: Electronic Properties and Hydrogen Evolution Reaction

Omar H. Abd‐Elkader, Hazem Abdelsalam, Mahmoud A.S. Sakr et al. · Crystals · 2023 · 28 citations · Full text

Nanosheet, Engineering, Electronic Properties +19