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SpringerLink电子期刊(2)
Elsevier电子期刊(10)
ACS电子期刊(1)
在“
Elsevier电子期刊
”中,
命中:
10
条,耗时:小于0.01 秒
在所有数据库中总计命中:
13
条
1.
QSAR analysis of the toxicity of phenols and thiophenols using MLR and ANN
作者:
Mounir Ghamali
a
;
ghamalimounir86@gmail.com
;
Samir Chtita
a
;
Abdellah Ousaa
a
;
Bouhya Elidrissi
a
;
Mohammed
Bouachrine
b
;
Tahar Lakhlifi
a
关键词:
QSAR
;
Phenols
;
Thiophenols
;
Photobacterium phosphoreum
;
Artificial neural network
刊名:Journal of Taibah University for Science
出版年:2017
2.
QSPR studies of 9-aniliioacridine derivatives for their DNA drug binding properties based on density functional theory using statistical methods: Model, validation and influencing factors
作者:
Samir Chtita
a
;
samirchtita@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Rachid Hmamouchi
a
;
Majdouline Larif
b
;
Mounir Ghamali
a
;
Mohammed
Bouachrine
c
;
Tahar Lakhlifi
a
;
关键词:
QSPR
;
DFT
;
MLR
;
MNLR
;
Acridine
;
Antitumour
刊名:Journal of Taibah University for Science
出版年:2016
3.
Predictive modelling of the LD
50
activities of coumarin derivatives using neural statistical approaches: Electronic descriptor-based DFT
作者:
Rachid Hmamouchi
a
;
Majdouline Larif
b
;
Samir Chtita
a
;
Azeddine Adad
a
;
Mohammed
Bouachrine
c
;
Tahar Lakhlifi
a
;
tahar.lakhlifi@yahoo.fr" class="auth_mail" title="E-mail the corresponding author
关键词:
Predicted
;
QSAR
;
MLR
;
ANN
;
Learning algorithm
;
Levenberg&ndash
;
Marquardt
刊名:Journal of Taibah University for Science
出版年:2016
4.
The inhibitory activity of aldose reductase of flavonoid compounds: Combining DFT and QSAR calculations
作者:
Mounir Ghamali
a
;
ghamalimounir86@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Samir Chtita
a
;
Rachid Hmamouchi
a
;
Azeddine Adad
a
;
Mohammed
Bouachrine
b
;
Tahar Lakhlifi
a
关键词:
QSAR model
;
DFT study
;
Flavonoids
;
Aldose reductase
;
Artificial neural network
刊名:Journal of Taibah University for Science
出版年:2016
5.
Theoretical investigation of new thiazolothiazole-based D-蟺-A organic dyes for efficient dye-sensitized solar cell
作者:
Asmae Fitri
a
;
Adil Touimi Benjelloun
a
;
tbadil@yahoo.com" class="auth_mail
;
Mohammed
Benzakour
a
;
Mohammed
Mcharfi
a
;
Mohammed
Hamidi
b
;
Mohammed
Bouachrine
c
关键词:
Dye-sensitized solar cells
;
Thiazolothiazole
;
TDDFT
;
PCM
;
Optoelectronic
;
Photovoltaic parameters
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:24 April, 2014
6.
Quantum chemical investigations study of the effect of electron donor units on the structural, electronic and optoelectronic properties of diarylthienopyrazine analogs
作者:
Youssef Ait Aicha
a
;
c
;
Si Mohamed Bouzzine
b
;
c
;
Zakaria Mohyieddine Fahim
c
;
Touriya Zair
a
;
Mohammed
Bouachrine
d
;
Mohamed Hamidi
c
;
mbouzzine@yahoo.fr" class="auth_mail
关键词:
Thienopyrazine
;
Structural and electronic properties
;
Acceptor&ndash
;
donor
;
TD-DFT
刊名:Computational and Theoretical Chemistry
出版年:15 May, 2014
7.
Structural and Electronic Properties of New Materials Based on Thiophene and Phenylene
作者:
Hsaine Zgou
;
Mohamed Hamidi
;
Jean-Pierre Lé
;
re-Porte
;
Francoise Serein-Spirau
;
Mohammed
Bouachrine
关键词:
Conjugated polymer
;
Thiophene-phenylene
;
DFT
;
Electronic property
刊名:Acta Physico-Chimica Sinica
出版年:2008
8.
Density functional theory (B3LYP/6-31G*) study of oligothiophenes in their aromatic and polaronic states
作者:
Si Mohamed Bouzzine
;
Saï
;
d Bouzakraoui
;
Mohammed
Bouachrine
and Mohamed Hamidi
关键词:
Oligothiophenes
;
Neutral state
;
Polaronic state
;
Bridging effect
;
DFT
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2005
9.
Density functional theory study of conformational and opto-electronic properties of oligo-para-phenylenes
作者:
Saï
;
d Bouzakraoui
;
Si Mohamed Bouzzine
;
Mohammed
Bouachrine
and Mohamed Hamidi
关键词:
Oligo-para-phenylene
;
DFT
;
Conformational analysis
;
Opto-electronic properties
;
Neutral structure
;
Doped structure
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2005
10.
A thienylene-phenylene copolymer with di(ethylene oxide) side chains and its use in light emitting diodes
作者:
Bouachrine
;
Mohammed
;
Lè
;
re-Porte
;
Jean-Pierre
;
Moreau
;
Joë
;
l J.E.
;
Spirau
;
Franç
;
oise Serein
;
et. al.
关键词:
Conducting polymers
;
Thienylene-phenylene copolymer
;
Transition metal catalyzed reaction
;
Electroluminescence
;
Coating
刊名:Synthetic Metals
出版年:2002
1
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