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Environmentally Sustainable Approach of Corrosion Inhibition of Mild Steel in 1 N HCl and 1 N H2SO4 via Antihistamine Loratadine (LT) and Its Amine Derivatives: Computational and Experimental Analysis
ACS Omega,
2025
DOI:10.1021/acsomega.4c06238
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Predicting Autoxidation of Sulfides in Drug-like Molecules Using Quantum Mechanical/Density Functional Theory Methods
Journal of Chemical Information and Modeling,
2024
DOI:10.1021/acs.jcim.3c01158
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QSAR Modeling and Molecular Docking Studies of New Substituted Pyrazolyl-Pyrimidinones as Potent HIV-1 Inhibitors
Current Chemical Biology,
2024
DOI:10.2174/0122127968317638241014090751
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Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications
Journal of Molecular Modeling,
2022
DOI:10.1007/s00894-022-05386-3
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[5]
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Ultrafast Vibrational Energy Transfer through the Covalent Bond and Intra- and Intermolecular Hydrogen Bonds in a Supramolecular Dimer by Two-Dimensional Infrared Spectroscopy
The Journal of Physical Chemistry B,
2020
DOI:10.1021/acs.jpcb.9b10431
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[6]
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Ultrafast Vibrational Energy Transfer through the Covalent Bond and Intra- and Intermolecular Hydrogen Bonds in a Supramolecular Dimer by Two-Dimensional Infrared Spectroscopy
The Journal of Physical Chemistry B,
2020
DOI:10.1021/acs.jpcb.9b10431
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DFT/TDDFT investigation on the electronic structures and spectral characteristics of C5H3XOS (X = H, F, Cl or Br)
Journal of Structural Chemistry,
2017
DOI:10.1134/S0022476617040060
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