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ACS Omega|October 3, 2022
Structural and Energetic Properties of Weak Noncovalent Interactions in Two Closely Related 3,6-Disubstituted-[1,2,4]triazolo[3,4-<i>b</i>][1,3,4]thiadiazole Derivatives: In Vitro Cyclooxygenase Activity, Crystallography, and Computational InvestigationsLamya H Al-Wahaibi, Sekar Karthikeyan, Olivier Blacque, et al.
Frontiers in Chemistry|December 17, 2025
Weak noncovalent interactions in 1,2,4-triazole-3-thione-linked adamantyl derivatives: experimental and computational insights into their potential as antiproliferative agentsLamya H Al-Wahaibi, Annesha Chakraborty, Hanan M Hassan, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 29, 2014
Molecular structure and vibrational spectra of 2-Ethoxymethyl-6-ethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, a potential chemotherapeutic agent, by density functional methodsY Shyma Mary, Abdul-Malek S Al-Tamimi, Nasser R El-Brollosy, et al.
ACS Omega|November 30, 2020
DFT Study on the Electronic Properties, Spectroscopic Profile, and Biological Activity of 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole with Anticancer PropertiesIsha Singh, Lamya H Al-Wahaibi, Ruchi Srivastava, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 5, 2014
Theoretical investigations on the molecular structure, vibrational spectra, HOMO-LUMO analyses and NBO study of 1-[(Cyclopropylmethoxy)methyl]-5-ethyl-6-(4-methylbenzyl)-1,2,3,4-tetrahydropyrimidine-2,4-dioneEbtehal S Al-Abdullah, Y Sheena Mary, C Yohannan Panicker, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 5, 2014
Spectroscopic (FT-IR, FT-Raman, and UV-visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindoleVikas K Shukla, Ebtehal S Al-Abdullah, Ali A El-Emam, et al.
Molecules (Basel, Switzerland)|September 10, 2021
Structural Insights and Docking Analysis of Adamantane-Linked 1,2,4-Triazole Derivatives as Potential 11β-HSD1 InhibitorsDoaa A Osman, Mario A Macías, Lamya H Al-Wahaibi, et al.
ACS Omega|April 6, 2022
Supramolecular Self-Assembly Mediated by Multiple Hydrogen Bonds and the Importance of C-S···N Chalcogen Bonds in <i>N</i>'-(Adamantan-2-ylidene)hydrazide DerivativesLamya H Al-Wahaibi, Karthick Vishal Asokan, Nora H Al-Shaalan, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|August 30, 2014
Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO analysis and molecular docking study of 2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazoleNadia G Haress, Fatmah Al-Omary, Ali A El-Emam, et al.
ACS Omega|March 1, 2021
Probing the Effect of Halogen Substituents (Br, Cl, and F) on the Non-covalent Interactions in 1-(Adamantan-1-yl)-3-arylthiourea Derivatives: A Theoretical StudyLamya H Al-Wahaibi, Divya Sri Grandhi, Samar S Tawfik, et al.
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