Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Khadija Marakchi"'
Publikováno v:
The Astrophysical Journal, Vol 963, Iss 2, p 143 (2024)
Accurate spectroscopic parameters of isopropyl alcohol, a volatile organic compound present on Earth and in extraterrestrial atmospheres, are provided. The work pursues the study of the far-infrared region, describing the distribution of the low-lyin
Externí odkaz:
https://doaj.org/article/1346e01af8f34745b4f3704ba452e369
Autor:
Najia Komiha, Khadija Marakchi, Miguel Carvajal, Maria Luisa Senent Diez, Victoria Guadalupe Gámez, Hamza El Hadki, Oum Keltoum Kabbaj, Samira Dalbouha
Publikováno v:
Open Research Europe, Vol 1 (2022)
Background: Acetone is present in the earth´s atmosphere and extra-terrestrially. The knowledge of its chemical history in these environments represents a challenge with important implications for global tropospheric chemistry and astrochemistry. Th
Externí odkaz:
https://doaj.org/article/fcaa8ddee7c14f0cab75dbd4910fa28c
Autor:
Aicha Bazzi, Nivedita Acharjee, Najia Komiha, M. Hilali, Hanane Zejli, Khadija Marakchi, Souad El Issami, Khalid Abbiche, Safia Izzaouihda, Lahcen Bazzi
Publikováno v:
Structural Chemistry. 32:2183-2198
A combined experimental and theoretical study is presented to predict and analyze the inhibition efficiency and adsorption mechanism of 4-aminobenzoic acid molecule for copper corrosion in molar nitric acid. Experimentally, the investigation has been
Autor:
Miguel Carvajal, Khadija Marakchi, Samira Dalbouha, Hamza El Hadki, Maria Luisa Senent Diez, N. Komiha, Victoria Gámez, Oum Keltoum Kabbaj
Publikováno v:
Open Research Europe
24 pags., 10 figs., 11 tabs. -- [version 2; peer review: 2 approved]
Background: Acetone is present in the earths atmosphere and extra-terrestrially. The knowledge of its chemical history in these environments represents a challenge with importa
Background: Acetone is present in the earths atmosphere and extra-terrestrially. The knowledge of its chemical history in these environments represents a challenge with importa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::872086b966d2c31615ecee8deaef9c4b
http://hdl.handle.net/10261/305085
http://hdl.handle.net/10261/305085
Publikováno v:
Oriental Journal of Chemistry. 34:2992-2997
The regioselectivity of the reaction between phenyldiazen-1-ium-1-ylidene p-tolyl methanide and ethyl 4-benzoyl-4H-benzo [1,4]oxazine-2-carboxylate were studied by means of the DFT/B3LYP method coupled by the 6-31g(d) basis and MP2 in connection with
Autor:
M.E. Belghiti, Souad Jorio, Khadija Marakchi, Mohammed Salah, H. El Alaoui Abdellaoui, H. El Hadki, Anas Ouled Aitouna, Abdellah Zeroual, N. Komiha
Publikováno v:
Journal of Molecular Graphics and Modelling
Journal of Molecular Graphics & Modelling
Journal of Molecular Graphics & Modelling
The molecular electronic density theory (MEDT) was invested to elucidate the chemo-, regio- and stereo-selectivity of the 1,3-dipolar cycloaddition between Diazomethane (DZM) and Psilostachyin (PSH). The DFT method at B3LYP/6-31+G(d,p) level of theor
Autor:
Nivedita Acharjee, Khadija Marakchi, Khalid Abbiche, Mohammed Salah, Najia Komiha, Abdelatif Laknifli, M. Hilali
Publikováno v:
Journal of molecular modeling. 26(10)
The mechanism and regioselectivity of [3+2] cycloaddition (32CA) reactions of benzonitrile oxide with ethyl trans-cinnamate, ethyl crotonate and trans-2-penten-1-ol has been studied in gas phase and in acetonitrile, ethyl acetate and tetrahydrofuran
Autor:
Oum Keltoum Kabbaj, Abdellah Zeroual, Khadija Marakchi, Souad Jorio, Mohammed Salah, Hamza El Hadki, Najia Komiha
Publikováno v:
Journal of molecular graphicsmodelling. 94
DFT/B3LYP/6–31 + g(d,p) calculations were performed and reactivity indices, transition structures theory were applied to elucidate the molecular mechanism of the reaction between fluorinated alkynes and different azides. The process of cycloadditio
Autor:
Hamza El Hadki, Oum Keltoum Kabbaj, María Luisa Senent, Khadija Marakchi, Zouhair Lakbaibi, Mohammed Salah, Najia Komiha
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
Mediterranean Journal of Chemistry, Vol 9, Iss 3, Pp 175-189 (2019)
instname
Mediterranean Journal of Chemistry, Vol 9, Iss 3, Pp 175-189 (2019)
15 pags., 12 figs., 9 tabs., 1 app.
This quantum study at B3LYP/6-311 ++ G (d, p) with ELF analysis were performed in order to understand the formation of propynal and cyclopropenone, two molecules detected in the interstellar medium. The format
This quantum study at B3LYP/6-311 ++ G (d, p) with ELF analysis were performed in order to understand the formation of propynal and cyclopropenone, two molecules detected in the interstellar medium. The format
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34970d53dac2182a3a1b3d565d85e957
http://hdl.handle.net/10261/208741
http://hdl.handle.net/10261/208741
Theoretical study of the solvent effects on electronic properties of 2(1H)-quinoxalinone derivatives
Autor:
Rachida Ghailane, Tourya Ghailane, Abdelaziz Souizi, Najia Komiha, Khadija Marakchi, Brahim Lakhrissi
Publikováno v:
Mediterranean Journal of Chemistry, Vol 5, Iss 5, Pp 554-567 (2016)
The structures and electronic spectra of three quinoxalinone derivatives have been investigated theoretically by performing DFT and TDDFT calculations with standard basis sets containing polarization and diffuse functions. The solvent effect was take