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Density functional theory -- Essays
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Theses
16
استخدام الجمھور البحريني للمدونات ودورھا في تغيير السلوك الشرائي للمستھلكين : دراسة تحليلية ميدانية
السعودي، مي محمد خليل
2018
استخدام الجمھور البحريني للمدونات ودورھا في تغيير السلوك الشرائي للمستھلكين : دراسة تحليلية ميدانية
-
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
-
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
-
Article
1
The relation between SARS-CoV-2 cases in Bahrain and meteorological parameters : 27 months of data
Alnaser, Waheeb E.
Arabian Gulf University
2022
The relation between SARS-CoV-2 cases in Bahrain and meteorological parameters : 27 months of data
-
Article
3
To Vaccinate or Not to Vaccinate—Reasons of Willingness and Reluctance of Students against SARS-CoV-2 Vaccination—An International Experience
Sitarz, Ryszard
University of Bahrain
2022
To Vaccinate or Not to Vaccinate—Reasons of Willingness and Reluctance of Students against SARS-CoV-2 Vaccination—An International Experience
-
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
3
Long term detection and quantification of SARS-CoV-2 RNA in wastewater in Bahrain
Herrera-Uribe, J.
Elsevier B.V.
2022
Long term detection and quantification of SARS-CoV-2 RNA in wastewater in Bahrain
-
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
-
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
-
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
-
Article
2
Inhibition of the IFN-α JAK/STAT Pathway by MERS-CoV and SARS-CoV-1 Proteins in Human Epithelial Cells
Zhang , Y
University of Bahrain
2022
Inhibition of the IFN-α JAK/STAT Pathway by MERS-CoV and SARS-CoV-1 Proteins in Human Epithelial Cells
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السعودي، مي محمد خليل
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السعودي، مي محمد خليل
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صالح، أشرف
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