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Density functional theory -- Essays
adsorption -- essays
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Article
6
0
Drug delivery of carvedilol (cardiovascular drug) using phosphorene as a drugcarrier : a DFT study
Rafique, J
University of Bahrain
2022
Drug delivery of carvedilol (cardiovascular drug) using phosphorene as a drugcarrier : a DFT study
Article
2
0
Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications
Kosar, Naveen
University of Bahrain
2022
Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications
Article
1
0
Alkaline earth metals (Be, Mg, Ca) doped hexamine complexant with enhanced electronic and nonlinear optical properties
Gul, Shehla
University of Bahrain
2022
Alkaline earth metals (Be, Mg, Ca) doped hexamine complexant with enhanced electronic and nonlinear optical properties
Article
2
0
Designing neodymium‑doped hexamine complexant as novel IR NLO material with extremely large non‑linear optical behavior
Hameed, Shanza
University of Bahrain
2022
Designing neodymium‑doped hexamine complexant as novel IR NLO material with extremely large non‑linear optical behavior
Article
1
0
Analysis of 1-Aroyl-3-[3-chloro-2-methylphenyl] Thiourea Hybrids as Potent Urease Inhibitors: Synthesis, Biochemical Evaluation and Computational Approach
Rasheed, Samina
MDPI
2022
Analysis of 1-Aroyl-3-[3-chloro-2-methylphenyl] Thiourea Hybrids as Potent Urease Inhibitors: Synthesis, Biochemical Evaluation and Computational Approach
Article
1
0
Exploring 2-Tetradecanoylimino-3-aryl-4-methyl-1,3-thiazolines Derivatives as Alkaline Phosphatase Inhibitors : Biochemical Evaluation and Computational Analysis
Ahmed, Aftab
MDPI
2022
Exploring 2-Tetradecanoylimino-3-aryl-4-methyl-1,3-thiazolines Derivatives as Alkaline Phosphatase Inhibitors : Biochemical Evaluation and Computational Analysis
Article
2
0
DFT outcome for comparative analysis of Be12O12, Mg12O12 and Ca12O12 nanocages toward sensing of N2O, NO2, NO, H2S, SO2 and SO3 gases
Sajid , H
University of Bahrain
2022
DFT outcome for comparative analysis of Be12O12, Mg12O12 and Ca12O12 nanocages toward sensing of N2O, NO2, NO, H2S, SO2 and SO3 gases
Article
8
0
Output‑only identification of a simplified onshore wind turbine model using a modified harmony search algorithm
Jahjouh, Mahmoud
Springer Nature
2022
Output‑only identification of a simplified onshore wind turbine model using a modified harmony search algorithm
Article
3
0
TD‑DFT, DFT, docking, MD simulations, and concentration‑dependent SERS investigations of a bioactive trifuoromethyl derivative having human acetylcholinesterase and butyrylcholinesterase in silver colloids
Al-Otaibi, J.S
University of Bahrain
2023
TD‑DFT, DFT, docking, MD simulations, and concentration‑dependent SERS investigations of a bioactive trifuoromethyl derivative having human acetylcholinesterase and butyrylcholinesterase in silver colloids
Article
2
0
Alkali metals doped cycloparaphenylene nanohoops: Promising nonlinear optical materials with enhanced performance
Rasul, R
University of Bahrain
2023
Alkali metals doped cycloparaphenylene nanohoops: Promising nonlinear optical materials with enhanced performance
Article
3
0
Enhanced nonlinear optical response of alkalides based on stacked Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane
Sohaib, M
University of Bahrain
2023
Enhanced nonlinear optical response of alkalides based on stacked Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane
Article
4
0
Polypyrrole- and Polyaniline-Coated Cotton Fabrics as Efficient Adsorbents for the Pharmaceutical Water Contaminants Diclofenac and Salicylic Acid
Farghal, H.H
University of Bahrain
2023
Polypyrrole- and Polyaniline-Coated Cotton Fabrics as Efficient Adsorbents for the Pharmaceutical Water Contaminants Diclofenac and Salicylic Acid
Article
1
0
Output-only identification of a simplified onshore wind turbine model using a modified harmony search algorithm
Jahjouh, Mahmoud
Springer Nature Switzerland AG
2022
Output-only identification of a simplified onshore wind turbine model using a modified harmony search algorithm
Article
2
0
Quantum mechanical modeling of fused rings-based small-donor molecules with enhanced optoelectronic attributes for high performance organic photovoltaic cells
Khan, Muhammad Imran
Journal of Physics and Chemistry of Solids
2023
Quantum mechanical modeling of fused rings-based small-donor molecules with enhanced optoelectronic attributes for high performance organic photovoltaic cells
Article
8
0
Synthesis and Characterization of Biodegradable Poly(vinyl alcohol)-Chitosan/Cellulose Hydrogel Beads for Efficient Removal of Pb(II), Cd(II), Zn(II), and Co(II) fromWater
Aljar, Mona A. Aziz
University of Bahrain
2023
Synthesis and Characterization of Biodegradable Poly(vinyl alcohol)-Chitosan/Cellulose Hydrogel Beads for Efficient Removal of Pb(II), Cd(II), Zn(II), and Co(II) fromWater
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Ahmed, Aftab
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Aljar, Mona A. Aziz
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Khan, Muhammad Imran
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Rafique, J
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Rafique, J
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Rasheed, Samina
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Rasul, R
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Rasul, R
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Sajid , H
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Springer Nature
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Springer Nature Switzerland AG
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