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18 Results found
DFT -- Essays x
optimization -- Essays x
structural equation modeling -- Essays x

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Article

Parametric Study and Optimization of End-Milling Operation of AISI 1522H Steel Using Definitive Screening Design and Multi-Criteria Decision-Making Approach

Abas, M.;

University of Bahrain

2022

Parametric Study and Optimization of End-Milling Operation of AISI 1522H Steel Using Definitive Screening Design and Multi-Criteria Decision-Making Approach

Article

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

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

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

An experience based artificial neural network in the design optimization of steel frames

Jahjouh, Mahmoud

University of Bahrain

2022

An experience based artificial neural network in the design optimization of steel frames

Article

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

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

Article

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

Optimizing operational parameters through minimization of running costs for shared mobility public transit service: an application of decision tree models

Qadir, A

University of Bahrain

2023

Optimizing operational parameters through minimization of running costs for shared mobility public transit service: an application of decision tree models

Article

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

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

DFT study of therapeutic potential of graphitic carbon nitride as a carrier for controlled release of melphalan : an anticancer drug

Perveen, Mehvish

Springer-Verlag GmbH

2022

DFT study of therapeutic potential of graphitic carbon nitride as a carrier for controlled release of melphalan : an anticancer drug

Article

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