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1 . Academic Journal
A new investigation into the regioselectivity and stereoselectivity of the reaction between di-methyl nitrone and fluorinated alkenes: DFT, independent gradient model, and molecular docking
저자
by
Rafik, Amine
;
El Hadki, Hamza
;
Jaddi, Abdeljabbar
;
Komiha, Najia
;
Kabbaj, Oum Keltoum
, et al.
소스
In
Computational and Theoretical Chemistry
April 2024 1234
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7 . Academic Journal
Unveiling the mechanism and selectivity of the [3 + 2] cycloaddition reactions of nitrone with acetylene derivatives leading to anticancer 4-isoxazoline derivatives from the MEDT perspective
저자
by
Mellaoui, Moulay Driss
;
Abbiche, Khalid
;
Acharjee, Nivedita
;
Mohammad-Salim, Haydar
;
Imjjad, Abdallah
, et al.
소스
In
Computational and Theoretical Chemistry
July 2024 1237
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7 . Academic Journal
Theoretical study of the 1,3-DC reaction between fluorinated alkynes and azides: Reactivity indices, transition structures, IGM and ELF analysis
저자
by
Salah, Mohammed
;
Zeroual, Abdellah
;
Jorio, Souad
;
El hadki, Hamza
;
Kabbaj, Oum Keltoum
, et al.
소스
In
Journal of Molecular Graphics and Modelling
January 2020 94
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7 . Academic Journal
Computational study of the 1,3-dipolar cycloaddition between methyl 2-trifluorobutynoate and substituted azides in terms of reactivity indices and activation parameters
저자
by
Salah, Mohammed
;
Komiha, Najia
;
Kabbaj, Oum Keltoum
;
Ghailane, Rachida
;
Marakchi, Khadija
.
소스
In
Journal of Molecular Graphics and Modelling
May 2017 73:143-151
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7 . Academic Journal
Insights into the mechanism of [3+2] cycloaddition reactions between N‐benzyl fluoro nitrone and maleimides, its selectivity and solvent effects.
저자
by
Boutiddar, Rachid
;
Abbiche, Khalid
;
Mellaoui, Moulay Driss
;
Imjjad, Abdallah
;
Alahiane, Mustapha
, et al.
소스
Journal of Computational Chemistry
. 2/15/2024, Vol. 45 Issue 5, p284-299. 16p.
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7 . Academic Journal
Inhibition efficiency and adsorption mechanism of 4-aminobenzoic acid for copper corrosion in nitric acid medium: a combined experimental and theoretical investigation.
저자
by
Bazzi, Aicha
;
Abbiche, Khalid
;
Izzaouihda, Safia
;
Acharjee, Nivedita
;
Zejli, Hanane
, et al.
소스
Structural Chemistry
. Dec2021, Vol. 32 Issue 6, p2183-2198. 16p.
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7 . Book
3. Theoretical study of the electronic states of newly detected dications. Case of MgS2+ AND SiN2+
저자
by
Khairat, Toufik
;
Salah, Mohammed
;
Marakchi, Khadija
;
Komiha, Najia
;
Ramasami, Ponnadurai, editor
.
소스
Computational Sciences
. :71-92
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7 . Academic Journal
Unveiling the mechanism and selectivity of [3+2] cycloaddition reactions of benzonitrile oxide to ethyl trans-cinnamate, ethyl crotonate and trans-2-penten-1-ol through DFT analysis.
저자
by
Abbiche, Khalid
;
Acharjee, Nivedita
;
Salah, Mohammed
;
Hilali, Mustapha
;
Laknifli, Abdelatif
, et al.
소스
Journal of Molecular Modeling
. Oct2020, Vol. 26 Issue 10, p1-12. 12p.
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7 . Academic Journal
Ab initio study of PN electronic states – a qualitative interpretation of the perturbation and predissociation effects on observed transitions.
저자
by
Abbiche, Khalid
;
Salah, Mohammed
;
Marakchi, Khadija
;
Kabbaj, Oum Keltoum
;
Komiha, Najia
.
소스
Molecular Physics
. Jan2014, Vol. 112 Issue 1, p117-126. 10p.
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7 . Academic Journal
DFT study of the mechanism and stereoselectivity of the 1,3-dipolar cycloaddition between pyrroline-1-oxide and methyl crotonate.
저자
by
MARAKCHI, KHADIJA
;
GHAILANE, RACHIDA
;
KABBAJ, OUM
;
KOMIHA, NAJIA
.
소스
Journal of Chemical Sciences
. Jan2014, Vol. 126 Issue 1, p283-292. 10p.
Full Text (Springer)
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