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Density functional theory -- Essays
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Theses
17
التدخين وعلاقته باضطراب نقص الانتباه وفرط الحركة لدى المراهقين
كمال، صبيحة أحمد يعقوب
2019
التدخين وعلاقته باضطراب نقص الانتباه وفرط الحركة لدى المراهقين
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Article
2
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
2
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
-
Theses
3
Effective Systems for Bot Detection and Real-Time Stock Market Predictions
Alkhalifa, Reem Abdulla Salman
2023
Effective Systems for Bot Detection and Real-Time Stock Market Predictions
-
Article
2
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
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
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Article
6
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
1
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
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Article
1
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
1
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
2
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
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Article
1
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
-
Theses
14
Liver Disease Detection using Machine Learning Algorithms
Al-Telaq, Burair Hassan
2022
Liver Disease Detection using Machine Learning Algorithms
-
Theses
7
Short-term Forecasting for Photovoltaic Power Output Using Machine Learning Algorithms
Al-Bahri, Hajar
2022
Short-term Forecasting for Photovoltaic Power Output Using Machine Learning Algorithms
-
Theses
14
An Innovative Machine Learning Approaches for Intrusion Detection and Recovery
Hammad, Mohamed Nabil Mohammed Hassan
An Innovative Machine Learning Approaches for Intrusion Detection and Recovery
-
Theses
4
Performance Comparison for Deep Learning Models to Predict Top Cryptocurrencies Price
Bubashait, Mohamed Hamad Khalid
2022
Performance Comparison for Deep Learning Models to Predict Top Cryptocurrencies Price
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