Skip to main content
Main navigation
Browse
Authors
Collections
Subjects
Contact us
English
العربية
User account menu
Log in
×
Speak Now....
Fulltext search
Media uses External URI
Sort by
Relevance
Views
Title
Author
Date Issued
Order
Asc
Desc
Items per page
20
40
60
80
Search
Advanced Search
8 Results found
University of Bahrain
x
DFT -- Essays
x
Select all
Search tools
Export to CSV
Save search
Items per page
20
40
60
80
Sort Options
Relevance
Views
Title
Author
Date Issued
Sort Order
ASC
DESC
Grid
List
Select all
Export CSV
Print
-
Article
2
Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations
Siddique , S.A
University of Bahrain
2022
Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations
-
Article
2
Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
Sajid , H
University of Bahrain
2022
Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
-
Article
2
Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs
Djabri , I
University of Bahrain
2022
Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs
-
Article
4
Engineering push–pull structural versatility in highly functional carbazole-based hole transporting materials design for efficient perovskites solar devices
Akram, Waqas
University of Bahrain
2023
Engineering push–pull structural versatility in highly functional carbazole-based hole transporting materials design for efficient perovskites solar devices
-
Article
3
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
3
Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes
Kosar, N
University of Bahrain
2023
Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes
-
Article
2
Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir : Density Functional Theory Analysis
Zahid, M.N
University of Bahrain
2023
Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir : Density Functional Theory Analysis
-
Article
1
Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase : Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations
Saeed, Aamer
University of Bahrain
2022
Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase : Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations
Export CSV
Filters
x
University of Bahrain
x
DFT -- Essays
x
Clear All
Fulltext only
Language
English
(5)
English
(5)
English
(2)
English
(2)
English
(1)
English
(1)
Category
Article
(8)
Article
(8)
Publication Date
2022
2023
2022
2023
Apply
Collection
Articles
(8)
Articles
(8)
Subject
DFT -- Essays
(8)
(-)
DFT -- Essays
(8)
COVID-19 -- Essays
(14)
COVID-19 -- Essays
(14)
Machine learning -- Essays
(11)
Machine learning -- Essays
(11)
Bahrain -- Essays
(8)
Bahrain -- Essays
(8)
Density functional theory -- Essays
(7)
Density functional theory -- Essays
(7)
corporate governance -- Essays
(5)
corporate governance -- Essays
(5)
Microalgae -- Essays
(5)
Microalgae -- Essays
(5)
modeling -- Essays
(5)
modeling -- Essays
(5)
Molecular docking -- Essays
(5)
Molecular docking -- Essays
(5)
wastewater treatment -- essays
(5)
wastewater treatment -- essays
(5)
adsorption -- essays
(4)
adsorption -- essays
(4)
COVID-19 pandemic -- essays
(4)
COVID-19 pandemic -- essays
(4)
Artificial neural network -- Essays
(3)
Artificial neural network -- Essays
(3)
Biodiesel -- Essays
(3)
Biodiesel -- Essays
(3)
CO2 emissions -- Essays
(3)
CO2 emissions -- Essays
(3)
COVID-19 -- Essays
(3)
COVID-19 -- Essays
(3)
deep learning -- Essays
(3)
deep learning -- Essays
(3)
Deep learning -- Essays
(3)
Deep learning -- Essays
(3)
digital transformation -- Essays
(3)
digital transformation -- Essays
(3)
economic growth -- Essays
(3)
economic growth -- Essays
(3)
financial development -- Essays
(3)
financial development -- Essays
(3)
higher education -- Essays
(3)
higher education -- Essays
(3)
Nonlinear optics -- Essays
(3)
Nonlinear optics -- Essays
(3)
online learning -- Essays
(3)
online learning -- Essays
(3)
optimization -- Essays
(3)
optimization -- Essays
(3)
structural equation modeling -- Essays
(3)
structural equation modeling -- Essays
(3)
Sustainability -- Essays
(3)
Sustainability -- Essays
(3)
sustainability -- Essays
(3)
sustainability -- Essays
(3)
Buck converter -- Essays
(2)
Buck converter -- Essays
(2)
built environment -- Essays
(2)
built environment -- Essays
(2)
China -- Essays
(2)
China -- Essays
(2)
COVID-19 -- Essay
(2)
COVID-19 -- Essay
(2)
COVID-19 --Essays
(2)
COVID-19 --Essays
(2)
docking -- Essays
(2)
docking -- Essays
(2)
Emerging markets -- Essays
(2)
Emerging markets -- Essays
(2)
Financial performance -- Essays
(2)
Financial performance -- Essays
(2)
heavy metals -- essays
(2)
heavy metals -- essays
(2)
Karachi -- Essays
(2)
Karachi -- Essays
(2)
machine learning --Essays
(2)
machine learning --Essays
(2)
MD -- Essays
(2)
MD -- Essays
(2)
medical waste -- Essays
(2)
medical waste -- Essays
(2)
metaheuristic algorithms -- Essays
(2)
metaheuristic algorithms -- Essays
(2)
Oil and gas -- Essays
(2)
Oil and gas -- Essays
(2)
Omega-3 fatty acids --Essays
(2)
Omega-3 fatty acids --Essays
(2)
Online learning -- essays
(2)
Online learning -- essays
(2)
principal component analysis -- Essays
(2)
principal component analysis -- Essays
(2)
Random forest -- Essays
(2)
Random forest -- Essays
(2)
Renewable energy -- Essays
(2)
Renewable energy -- Essays
(2)
Technological innovation -- Essays
(2)
Technological innovation -- Essays
(2)
X-ray diffraction -- essays
(2)
X-ray diffraction -- essays
(2)
Show more
Author
Akram, Waqas
(1)
Akram, Waqas
(1)
Al-Otaibi, J.S
(1)
Al-Otaibi, J.S
(1)
Djabri , I
(1)
Djabri , I
(1)
Kosar, N
(1)
Kosar, N
(1)
Saeed, Aamer
(1)
Saeed, Aamer
(1)
Sajid , H
(1)
Sajid , H
(1)
Siddique , S.A
(1)
Siddique , S.A
(1)
Zahid, M.N
(1)
Zahid, M.N
(1)
Show more
Publisher
University of Bahrain
(8)
(-)
University of Bahrain
(8)
Elsevier B.V.
(1)
Elsevier B.V.
(1)
Springer-Verlag GmbH
(1)
Springer-Verlag GmbH
(1)