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
11 Results found
English
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
-
Article
5
Dispersion interactions with analytes at the center of graphene nanoflakes turn into electrostatic at the edge
Mahmood, Tariq
University of Bahrain
2023
Dispersion interactions with analytes at the center of graphene nanoflakes turn into electrostatic at the edge
-
Theses
2
Application of Transition Metal Doped X12Y12 Nanocages as Single Atom Catalysts towards the Water Splitting Reaction: A Quantum Chemical Approach
Allangawi, Abdulrahman
2024
Application of Transition Metal Doped X12Y12 Nanocages as Single Atom Catalysts towards the Water Splitting Reaction: A Quantum Chemical Approach
-
Article
5
Adsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene : A DFT and CCSD(T) Investigation
Sohail, Uroosa
American Chemical Society
2022
Adsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene : A DFT and CCSD(T) Investigation
-
Article
1
Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants
Allangawi, Abdulrahman
Elsevier B.V.
Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants
-
Article
1
Alkaline earthides based on 15-crown-5 ether with remarkable NLO response
Ahsan, Annum
Springer-Verlag GmbH
2022
Alkaline earthides based on 15-crown-5 ether with remarkable NLO response
-
Article
2
High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective
Allangawi, Abdulrahman
Elsevier
2023
High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective
-
Article
6
Diamondoid as potential nonlinear optical material by superalkali doping: A first principles study
Bano, Rehana
Elsevier, ScienceDirect
2023
Diamondoid as potential nonlinear optical material by superalkali doping: A first principles study
-
Article
1
Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study
Naeem, Javaria
Elsevier B.V.
2022
Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study
-
Article
10
Synthesis of pyridine and furan based arylated ketones through palladium catalyst with DFT study of their static and frequency dependent NLO response
Shehzadi, Kiran
Elsevier
2023
Synthesis of pyridine and furan based arylated ketones through palladium catalyst with DFT study of their static and frequency dependent NLO response
Article
5
Reversible H2 Storage Capacity of Ni Functionalized Carbyne (C10) Complex
Kosar, Naveen
Springer
2023
Reversible H2 Storage Capacity of Ni Functionalized Carbyne (C10) Complex
-
Article
5
Ab initio study for superior sensitivity of graphyne nanofake towards nitrogen halides over ammonia
Sajid, Hasnain
University of Bahrain
2022
Ab initio study for superior sensitivity of graphyne nanofake towards nitrogen halides over ammonia
Export CSV
Filters
x
English
x
Clear All
Fulltext only
Language
(-)
English
(11)
English
(3)
Category
Article
(10)
Theses
(1)
Publication Date
Collection
Articles
(10)
College of Science
(1)
Subject
Adamantane -- Essays
(1)
Adsorption -- Essays
(1)
Alkali metals -- Essays
(1)
Aminated graphdiyne -- Essays
(1)
Ammonia -- Essays
(1)
Aryl ketones -- Essays
(1)
C10 carbyne -- Essays
(1)
CCSD(T) -- Essays
(1)
Cross-coupling -- Essays
(1)
DFT -- Essays
(1)
DFT-- Essays
(1)
Dispersions interactions -- Essays
(1)
Doping -- Essays
(1)
Drug carrier -- Essays
(1)
Edge effect -- Essays
(1)
Electron density -- Essays
(1)
Electrostatic interactions -- Essays
(1)
First-principles study -- Essays
(1)
Furan -- Essays
(1)
Graphene nanoflakes -- Essays
(1)
Graphyne nanofake -- Essays
(1)
Hydrogen storage -- Essays
(1)
Hyperpolarizability -- Essays
(1)
Inorganic carbon compounds -- Essays
(1)
Interaction energies -- Essays
(1)
Interaction energy -- Essays
(1)
Molecular dynamics -- Essays
(1)
Nitrogen halides -- Essays
(1)
Non-linear optical -- Essays
(1)
Nonlinear optical -- Essays
(1)
Nonlinear optics -- Essays
(1)
Organic pollutants -- Essays
(1)
Oxides -- Essays
(1)
Pyridine -- Essays
(1)
QTAIM -- Essays
(1)
Recovery time -- Essays
(1)
Refractive indices -- Essays
(1)
SAPT0 analysis -- Essays
(1)
Superalkali clusters -- Essays
(1)
Suzuki -- Essays
(1)
Therapeutic potential -- Essays
(1)
Triazine-COF -- Essays
(1)
Author
Allangawi, Abdulrahman
(2)
Ahsan, Annum
(1)
Allangawi, Abdulrahman
(1)
Bano, Rehana
(1)
Kosar, Naveen
(1)
Mahmood, Tariq
(1)
Naeem, Javaria
(1)
Sajid, Hasnain
(1)
Shehzadi, Kiran
(1)
Sohail, Uroosa
(1)
Thesis advisor
Mahmood, Tariq
(1)
Publisher
Elsevier
(2)
Elsevier B.V.
(2)
University of Bahrain
(2)
American Chemical Society
(1)
Elsevier, ScienceDirect
(1)
Springer
(1)
Springer-Verlag GmbH
(1)
Institution
UNIVERSITY OF BAHRAIN, College of Science,…
(1)