[HTML][HTML] Experimental, DFT and theoretical corrosion study for 4-(((4-ethyl-5-(thiophen-2-yl)-4H-1, 2, 4-triazole-3-yl) thio) methyl)-7, 8-dimethyl-2H-chromen-2-one
Abstract In this work, 4-(((4-ethyl-5-(thiophen-2-yl)-4H-1, 2, 4-triazole-3-yl) thio) methyl)-7, 8-
dimethyl-2H-chromen-2-one was synthesized by acetone-mediated condensation of 4 …
dimethyl-2H-chromen-2-one was synthesized by acetone-mediated condensation of 4 …
Quantum chemical study of some basic organic compounds as the corrosion inhibitors
The corrosion inhibitor activities of 10 molecules (Benzene (C1), Phenol (C2), Toluene (C3),
Benzoic acid (C4), Acetophenone (C5), Chlorobenzene (C6), Bromobenzene (C7) …
Benzoic acid (C4), Acetophenone (C5), Chlorobenzene (C6), Bromobenzene (C7) …
[PDF][PDF] Spectroscopic properties of Vitamin C: A theoretical work
Vitamin C is an important human micronutrient. It has many vital biological functions in
human health. In this research paper, the molecule of vitamin C was optimized and energy …
human health. In this research paper, the molecule of vitamin C was optimized and energy …
Overcoming the yield challenge of mussel foot proteins: Enhancing adhesion through metal ion-incorporated nanoparticles
N Baskaran, YC Wang, RJ Tan, RJ Chung… - Colloids and Surfaces B …, 2023 - Elsevier
Mussel foot proteins (MFPs) hold tremendous potential for various fields, but their low
natural production yield presents a significant challenge for practical use. This study aims to …
natural production yield presents a significant challenge for practical use. This study aims to …
Theoretical determination of corrosion inhibitor activities of naphthalene and tetralin
Quantum mechanical methods were used to investigate the corrosion inhibitor activities of
tetraline and naphthalene compounds. In this study, some parameters were estimated …
tetraline and naphthalene compounds. In this study, some parameters were estimated …
Molecular properties of monoaminergic catecholamines in water
Three neurotransmitters belonging to catecholamines (dopamine, noradrenaline,
adrenaline) and related α-amino acids (DOPA and tyrosine) were studied by quantum …
adrenaline) and related α-amino acids (DOPA and tyrosine) were studied by quantum …
Computational study on paracetamol drug
Paracetamol is a drug used to relieve pain and fever. It is also known as acetaminophen and
APAP. It's typically used to relieve mild to moderate pain. Gaussian software programs 09 …
APAP. It's typically used to relieve mild to moderate pain. Gaussian software programs 09 …
Computational determination the reactivity of salbutamol and propranolol drugs
Gaussian software programs 09 was utilized to find the reactivity of salbutamol (SAL) and
propranolol (PRO). Density Functional Theory (DFT) and Hartree-Fock (HF) were used to …
propranolol (PRO). Density Functional Theory (DFT) and Hartree-Fock (HF) were used to …
[PDF][PDF] Structure reactivity analysis for Phenylalanine and Tyrosine
Phenylalanine (Phe) is one of the amino acids that cannot be produced in the body and
must be ingested through diet. Tyrosine (Tyr) is also a non-essential amino acid and can be …
must be ingested through diet. Tyrosine (Tyr) is also a non-essential amino acid and can be …
1H-pyrrole, furan, and thiophene molecule corrosion inhibitor behaviors
The corrosion inhibitor behaviors of the molecules 1H-Pyrrole, Furan, and Thiophene were
examined using the computational quantum method. The density functional theory (DFT) …
examined using the computational quantum method. The density functional theory (DFT) …