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Showing 10 out of a total of 21 results for community: Publications scientifiques.
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Solvent effects on molecular structure, vibrational frequencies, and NLO properties of N-(2, 3-dichlorophenyl)-2-nitrobenzene–sulfonamide: a density functional theory study
Chouaih, Abdelkader
;
Benhalima, Nadia
;
Boukabcha, Nourdine
;
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
;
Hamzaoui, Fodil
(
Brazilian Journal of Physics
,
2016-08-01
)
THE ELECTROSTATIC PROPERTIES OF 1, 2-DIMETHYL-3-NITROBENZENE COMPOUND: ab initio CALCULATION AND X-RAY CHARGE DENSITY ANALYSIS
Chouaih, Abdelkader
;
Boubegra, N
;
Megrouss, Y
;
Boukabcha, N
;
Hamzaoui, F
(
Rasayan Journal of Chemistry
,
2016
)
Determination of electrostatic parameters of a coumarin derivative compound C17H13NO3 by x-ray and density functional theory
Chouaih, Abdelkader
;
Megrouss, Youcef
;
Benhalima, Nadia
;
Bahoussi, Rawia
;
Boukabcha, Nouredine
;
Hamzaoui, Fodil
(
Chinese Physics B
,
2015-08-20
)
Molecular structure investigation of Z-3N (2-ethoxyphenyl)-2-N′(2-ethoxyphenyl)-imino-thiazolidin-4-one by ab initio, DFT and X-ray diffraction methods
Chouaih, Abdelkader
;
Boulakoud, M
;
Toubal, K
;
Yahiaoui, S
;
Chita, G
;
Djafri, A
;
Hamzaoui, F
(
Journal of Structural Chemistry
,
2015-12-01
)
Theoretical investigation of electrostatic potential and non linear optical properties of m–nitroacetanilide
Chouaih, Abdelkader
;
Boukabcha, N
;
Benhalima, N
;
Rahmani, R
;
Hamzaoui, F
(
Rasayan Journal of Chemistry
,
2015
)
Molecular Structure, Mulliken charges, HOMO-LUMO, Electrostatic Potential and Nonlinear Optical Properties of Zwitterionic 6-methyl-2-oxo-3-[1-(ureidoiminio) ethyl]-2H-pyran-4 …
Chouaih, Abdelkader
;
Benhalima, Nadia
;
Djedouani, Amel
;
Rahmani, Rachida
;
Hamzaoui, Fodil
;
Elandaloussi, El Hadj
(
World Journal of Modelling and Simulation
,
2018-02-05
)
Quantum chemical investigation of spectroscopic, electronicand NLO properties of (1E, 4E)-1-(3-nitrophenyl)-5-phenylpenta-1, 4-dien-3-one
Chouaih, Abdelkader
;
Benhalima, Nadia
;
Yahiaoui, Salem
;
Boubegra, Naima
;
Boulakoud, Manel
;
Megrouss, Youcef
;
Hamzaoui, Fodil
(
International Journal of Advanced Chemistry
,
2018-06-06
)
Crystal and molecular structure of (2Z, 5Z)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl) imino]-5-(4-nitrobenzylidene) thiazolidin-4-one
Chouaih, Abdelkader
;
Djafri, Ahmed
;
Daran, J-C
;
Hamzaoui, Fodil
(
Acta Crystallographica Section E: Crystallographic Communications
,
2017-04-01
)
ARTICLE· JANUARY 2016
Chouaih, Abdelkader
;
Daran, Jean-Claude
;
Djafri, Ayada
;
Hamzaoui, Fodil
(
2016-01
)
Topological analysis and charge-density studies of m -nitrophenol compound. A combined experimental and theoretical study
Chouaih, Abdelkader
;
Hamzaoui, Fodil
;
Drissi, Mokhtaria
;
Boubegra, Naima
(
Acta Crystallographica Section A Foundations of Crystallography
,
2011-08
)
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Chouaih, Abdelkader (21)
Hamzaoui, Fodil (14)
Benhalima, Nadia (6)
Hamzaoui, F (5)
Boubegra, Naima (4)
Djafri, Ayada (4)
Drissi, Mokhtaria (4)
Megrouss, Youcef (4)
Boukabcha, N (3)
Boukabcha, Nourdine (3)
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Sujet
hydrogen bonding (4)
crystal structure (3)
DFT (3)
HOMO-LUMO (3)
Structure (3)
thiazolidin-4-one (3)
X-ray diffraction (3)
DFT calculations (2)
dipole moment (2)
Electrostatic potential (2)
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2019 (1)
2018 (5)
2017 (3)
2016 (4)
2015 (3)
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2011 (3)