A Theoretical properties of Thiazepine and its derivatives on inhibition of Aluminium Al (110) surface.
F Iorhuna, NA Thomas, SM Lawal - Algerian Journal of Engineering …, 2023 - jetjournal.org
In this work, corrosion inhibition of Aluminium was evaluated theoretically through quantum
functions. The studied molecules thiazepine and its derivatives were optimized and …
functions. The studied molecules thiazepine and its derivatives were optimized and …
Exploring the mechanism of nerve agent (Tabun and Sarin) adsorption on carbon nanocones: Computational insights
V Haziri, A Berisha, M Haliti, S Kaya, V Thaçi… - Journal of Molecular …, 2024 - Elsevier
Abstract Carbon NanoCones (CNCs), distinguished by their conical shape and large surface
area, are evaluated for their potential application in nerve gas [tabun (GA) and sarin (GB)] …
area, are evaluated for their potential application in nerve gas [tabun (GA) and sarin (GB)] …
Understanding inhibition of steel corrosion by some potent triazole derivatives of pyrimidine through density functional theory and molecular dynamics simulation …
A Bello, A Uzairu, GA Shallangwa - Journal of the Turkish Chemical …, 2019 - dergipark.org.tr
Density Functional Theory (DFT) calculation at B3LYP level of theory and 6-31G* basis set
was applied on some triazole derivatives of pyrimidine which led to the optimization of their …
was applied on some triazole derivatives of pyrimidine which led to the optimization of their …
[HTML][HTML] In-silico approach to understand the inhibition of corrosion by some potent triazole derivatives of pyrimidine for steel
BA Umar, A Uzairu - SN Applied Sciences, 2019 - Springer
Density functional theory (DFT) with B3LYP functional and 6-31G* basis set was performed
on ten triazole derivatives of pyrimidine used as corrosion inhibitors for steel in 1.0 M HCl …
on ten triazole derivatives of pyrimidine used as corrosion inhibitors for steel in 1.0 M HCl …
Calculation of usability as anti-corrosion of pyrimidine-type bases by density functional theory
E Akbaş, H Kahraman, BÇ Akbaş - International Journal of …, 2022 - dergipark.org.tr
Corrosion of metals is an important problem in many industries. This problem can be
reduced by coating the metal surface. With this application, the metal can be isolated from …
reduced by coating the metal surface. With this application, the metal can be isolated from …
Theoretical calculation of newly synthesized tetrazolopyrimidine derivatives as a potential corrosion inhibitor
E Ergan, N Seker, BC Akbas, E Akbas - Journal of the Serbian …, 2022 - doiserbia.nb.rs
In this work, we wanted to define a general and comprehensive strategy for the synthesis of
tetrazolo [1, 5-a] pyrimidine derivatives. For this purpose, we obtained new tetrazolo [1, 5-a] …
tetrazolo [1, 5-a] pyrimidine derivatives. For this purpose, we obtained new tetrazolo [1, 5-a] …
Theoretical Simulation of the Corrosion-inhibition Potentials of Triterpenoids on Aluminium Metal Surface
AM Ayuba, AM Ayuba, AAA Abdullateef - Jordan Journal of Chemistry …, 2022 - jjc.yu.edu.jo
The mechanism of the corrosion-inhibition action of three selected triterpenoid compounds
including α-amyrin, β-amyrin and Lupeol on Al (110) surface was studied using …
including α-amyrin, β-amyrin and Lupeol on Al (110) surface was studied using …
[PDF][PDF] International Journal of Chemistry and Technology
M OKAY, E ERGAN, BÇ AKBAŞ, E AKBAŞ - academia.edu
Corrosion of metallic structures is a serious problem in most industries worldwide. This
problem can be controlled by the addition of chemicals capable of adsorption onto the metal …
problem can be controlled by the addition of chemicals capable of adsorption onto the metal …
Determination of electronic characteristics of tetrahydro pyrimidine derivatives and investigation of usability as anti-corrosion
E Akbaş, M Okay, E Ergan, BÇ Akbaş - International Journal of …, 2021 - dergipark.org.tr
Corrosion of metallic structures is a serious problem in most industries worldwide. This
problem can be controlled by the addition of chemicals capable of adsorption onto the metal …
problem can be controlled by the addition of chemicals capable of adsorption onto the metal …
[PDF][PDF] International Journal of Chemistry and Technology
E AKBAŞ, H KAHRAMAN, BÇ AKBAŞ - academia.edu
Corrosion of metals is an important problem in many industries. This problem can be
reduced by coating the metal surface. With this application, the metal can be isolated from …
reduced by coating the metal surface. With this application, the metal can be isolated from …