Zobrazeno 1 - 10
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pro vyhledávání: '"LOL"'
Publikováno v:
Results in Chemistry, Vol 11, Iss , Pp 101815- (2024)
2,6-Dibromo-4-chloroaniline is a planar molecule. Functional analysis based on vibrational modes is made clearer by spectral analysis. Quantum chemical calculation are characterized, its electronegativity in addition to local characteristics such as
Externí odkaz:
https://doaj.org/article/b61db29da438454d89d7e744add4d514
Autor:
M. K. Ngwenyama, M. N. Gitau
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-28 (2024)
Abstract Oil-immersed transformers are expensive equipment in the electrical system, and their failure would lead to widespread blackouts and catastrophic economic losses. In this work, an elaborate diagnostic approach is proposed to evaluate twenty-
Externí odkaz:
https://doaj.org/article/f193a72e31f644cfb9d71d6738333ff5
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100394- (2024)
Optimum geometries and vibration spectra of 8-hydroxyquinolium 3-nitrobenzoate (8HQ3NB) were predicted by DFT computations at B3LYP using 6–311++G(d, p) basis functions. To decipher IR spectra mathematically and qualitatively, vibrational spectra w
Externí odkaz:
https://doaj.org/article/d858adca12f64970ab26dc9b88357d2f
Autor:
Chandramohan Uma Maheswari
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100570- (2024)
Clioquinol is an antifungal medication that is used to treat skin diseases such as dermatitis, foot inflammation, sports itch, and ringworm The electron localization and delocalization indices in position space are further quantum chemical instrument
Externí odkaz:
https://doaj.org/article/d0ed4daf774142a69db0dfad042524fa
Autor:
D.P. Lydia Renj, R. Racil Jeya Geetha, A. Benifa, M. Amalanathan, M. Sony Michael Mary, Zoran Ratković, Jovana Muškinja, Jayasekar Micheal
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100524- (2024)
A systematic spectroscopic investigationof 1-acethyl-2(4-isopropoxy-3-methoxyphenyl) cyclopropanewasperformed by utilizing Density functional theory approaches at B3LYP level usingGaussian 09 W software package. The FT-IR and FT-Raman techniques were
Externí odkaz:
https://doaj.org/article/25acb1fbf3684a0e91535dc242d969a0
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100427- (2024)
The present study used the Density Functional Theory /B3LYP approach utilizing the different basis sets to perform vibrational studies on 3-methyl-2-phenylmorpholine (3M2P). Thorough essential vibration assignments were carried out according to the p
Externí odkaz:
https://doaj.org/article/440e299d9cd04d1680d525baecaca7d6
Autor:
Chandramohan Uma maheswari
Publikováno v:
Heliyon, Vol 10, Iss 4, Pp e26274- (2024)
Natural traditional medicine extensively uses certain terpenes and gives plants their flavor, aroma, and color. Treatments for bacterial infections, malaria, and cardiovascular disorders, anti-inflammatory, promote circulation, and heal wounds. 3,7-D
Externí odkaz:
https://doaj.org/article/2ecce11a97fe4a4a91d2932ff0da5ff3
Autor:
V. Sunil Kumar, Krishna Murthy Potla, K. Srishailam, S. Kaleeswaran, Saleem Javed, A. Manikandan, S. Muthu
Publikováno v:
Results in Chemistry, Vol 7, Iss , Pp 101379- (2024)
DFT-based quantum mechanical calculations, electron behaviour, biological properties of the Anagrelide with an IUPAC name of (6,7-dichloro-3,5-dihydro-1H-Imidazo[2,1,-b]quinazolin-2-one) is probed using Gaussian 09 W and Gauss View 6 programs, with B
Externí odkaz:
https://doaj.org/article/2a59173e0e75484c83136b4b007ba4ab
Publikováno v:
Chemical Physics Impact, Vol 7, Iss , Pp 100393- (2023)
1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid and its salts are present in the cells and bodily fluids of many living things, and they play a significant role in biological systems as precursors to pyrimidine nucleosides. The work aims to
Externí odkaz:
https://doaj.org/article/f861061a11a24326937401190e23f1b0
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