Zobrazeno 1 - 10
of 399
pro vyhledávání: '"HOMO and LUMO"'
Autor:
Walaa S. Sarhan, Nagham M. Shiltagh
Publikováno v:
Heliyon, Vol 10, Iss 19, Pp e38890- (2024)
In order to build and design stable molecular structures of α‐D‐glucose molecules after adding to a cluster of silver atoms, an optimization process was precisely carried out for α‐D glucose/Ag3 molecule at low energy. The correlation between
Externí odkaz:
https://doaj.org/article/70d4e42850894ffb93d73c0f9d0d2f20
Publikováno v:
Heliyon, Vol 10, Iss 11, Pp e32610- (2024)
This study analyzed the aspirin molecule (C9H8O4) using Density Functional Theory (DFT) on Gaussian 09W software. First, the structure of aspirin was optimized using the DFT method with the B3LYP functional and the 6-311+G (d,p) basis set. A global r
Externí odkaz:
https://doaj.org/article/b9324f24e8e54eb4abf4e85c03d75db7
Publikováno v:
Vietnam Journal of Science, Technology and Engineering, Vol 65, Iss 4 (2023)
Pure thiourea barium chloride (TBC) crystals were synthesised using a slow cooling rate (0.05°C/day) and gradual evaporation from an aqueous solution. The growth process occurred over more than 19 days at a temperature of 39°C. Natural bond orbital
Externí odkaz:
https://doaj.org/article/696ae33282d54c6bb5306c93fcdb6a9e
Publikováno v:
Heliyon, Vol 9, Iss 11, Pp e22188- (2023)
In this investigation woven cotton fabric was dyed with madder dye under different dyeing conditions such as in the presence of without mordant, single mordant and mixed mordant. The thermal behaviour of non-mordanted,single mordanted and mixed chemi
Externí odkaz:
https://doaj.org/article/04506d9bd37d4861a0a92fcb5845d06f
Autor:
Shaheed A. Papoola, Hmoud Al Dmour, Boulanouar Messaoudi, Is Fatimah, Souad Rakass, Yan Liu, Fethi Kooli
Publikováno v:
Journal of Saudi Chemical Society, Vol 27, Iss 5, Pp 101723- (2023)
organophilic local clay materials from Boyolali- Central of Java were prepared via exchange reaction with hexadecyltrimethylammonium bromide (C16TMABr) solution. These materials were used as potential agent for the removal of an acidic eosin Y dye fr
Externí odkaz:
https://doaj.org/article/196ec9fadb684c2ea103c2677ad2a150
Akademický článek
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Akademický článek
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Publikováno v:
Advanced Materials Interfaces, Vol 10, Iss 8, Pp n/a-n/a (2023)
Abstract H2 evolution reaction (HER) requires an electrocatalyst to reduce the reaction barriers for the efficient production of H2. 2D transition metal dichalcogenides (2D TMDs) have emerged as a pinnacle group of materials for many potential applic
Externí odkaz:
https://doaj.org/article/48430b3918314680a903c85d60a133bc
Autor:
Barim, Esra, Akman, Feride
Publikováno v:
Pigment & Resin Technology, 2021, Vol. 51, Issue 1, pp. 69-79.
Externí odkaz:
http://www.emeraldinsight.com/doi/10.1108/PRT-05-2020-0051
Autor:
Nuha Hussain Al-Saadawy
Publikováno v:
Indonesian Journal of Chemistry, Vol 22, Iss 2, Pp 437-445 (2022)
The present work describes the synthesis of a variety of organotellurium compounds. The first part describes the synthesis of a new series of organotellurium compounds containing azomethine groups. Reaction of (E)-(4-((1,7,7-trimethyl bicyclo[2.2.1]h
Externí odkaz:
https://doaj.org/article/ca32c5d7766f455286132ac21f1259b0