Zobrazeno 1 - 10
of 244
pro vyhledávání: '"quantum chemical studies"'
Publikováno v:
Тонкие химические технологии, Vol 18, Iss 2, Pp 98-108 (2023)
Objectives. The study set out to determine the equilibrium parameters of the 3,4-dicyanofuroxan molecule by means of molecule geometry optimization by quantum chemistry methods, verify the adequacy of the methods used, and compare the obtained result
Externí odkaz:
https://doaj.org/article/36e85e9eec94411ea185d690d7bf4078
Autor:
S. V. Mazanov, F. M. Gumerov, A. I. Kourdioukov, A. R. Gabitova, R. A. Usmanov, L. Kh. Safiullina, Z. I. Zaripov, Yu. A. Shapovalov
Publikováno v:
Известия высших учебных заведений: Проблемы энергетики, Vol 25, Iss 1, Pp 24-44 (2023)
THE PURPOSE. The purpose of this work was to use the associated paradigm for a correct quantum-chemical description of non-catalytic and catalytic supercritical fluid processes of transesterification of triglycerides with alcohols and hydrolysis of t
Externí odkaz:
https://doaj.org/article/7eba22ed070d46549f61aaacdca115ea
Autor:
N. Phadke Swathi, Seranthimata Samshuddin, Talal A. Aljohani, Kedila Rasheeda, Vijaya D. P. Alva, Irshad Baig, Nujud Maslamani, Aeshah Hassan Alamri
Publikováno v:
South African Journal of Chemical Engineering, Vol 44, Iss , Pp 123-134 (2023)
Iron and alloys of iron are commonly used in industries for various purposes. Despite their toughness, they are prone to corrosion. A common way to protect metallic components from corrosion is the use of pyridine inhibitors. Hence, two new triazole
Externí odkaz:
https://doaj.org/article/ce3a3e11b7d441d0848be003a6d86d3e
Publikováno v:
Journal of the Serbian Chemical Society, Vol 87, Iss 5, Pp 575-587 (2022)
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]pyrimidine molecules via the mercurypromoted desulfurization reactio
Externí odkaz:
https://doaj.org/article/eb748390455f46009184626302e06120
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Masrat Mohmad, Nivedita Agnihotri, Vikas Kumar, Mohammad Azam, Saikh Mohammad Wabaidur, Raj Kamal, Rakesh Kumar, Mahboob Alam, Sadegh Kaviani
Publikováno v:
Frontiers in Pharmacology, Vol 13 (2022)
Externí odkaz:
https://doaj.org/article/d5f40ca4b3d1401f9f00bf71aa67efef
Autor:
Masrat Mohmad, Nivedita Agnihotri, Vikas Kumar, Mohammad Azam, Saikh Mohammad Wabaidur, Raj Kamal, Rakesh Kumar, Mahboob Alam, Sadegh Kaviani
Publikováno v:
Frontiers in Pharmacology, Vol 13 (2022)
A comprehensive aqueous phase spectrophotometric study concerning the trace level determination of iridium (III) by its reaction with benzopyran-derived chromogenic reagent, 6-chloro-3-hydroxy-7-methyl-2-(2′-thienyl)-4-oxo-4H-1-benzopyran (CHMTB),
Externí odkaz:
https://doaj.org/article/1aa69452b8624a698ec55a8b2891f412
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 19, Iss , Pp 1312-1324 (2021)
The non-natural ethynylmethylpyridone C-nucleoside (W), a thymidine (T) analogue that can be incorporated in oligonucleotides by automated synthesis, has recently been reported to form a high fidelity base pair with adenosine (A) and to be well accom
Externí odkaz:
https://doaj.org/article/bfda08c0ebc447cfa2c678353f3bdbc1
Publikováno v:
Журнал органічної та фармацевтичної хімії, Vol 17, Iss 1, Pp 42-47 (2019)
Aim. To compare the mechanism of the epoxidation reaction of terpenes Geraniol and Limonene with peracetic acid and perbenzoic acid based on the quantum chemical study. Materials and methods. For the calculation the density functional theory (approx
Externí odkaz:
https://doaj.org/article/2e4d26a73bfa4d0a978f4bb10c9e3ed1
Publikováno v:
Molbank, Vol 2021, Iss 2, p M1215 (2021)
The novel N-(3,5-bis(trifluoromethyl)benzyl)stearamide 3 was prepared in moderate yield by a solventless direct amidation reaction of stearic acid 1 with 3,5-bis(trifluoromethyl)benzylamine 2 at 140 °C for 24 h under metal- and catalyst-free conditi
Externí odkaz:
https://doaj.org/article/afcbd5b90e264130b2b02bf92b4c3ce7