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内部出版物
在“
Elsevier电子期刊
”中,
命中:
16
条,耗时:小于0.01 秒
1.
Isothermal isobaric molecular dynamics simulation of water
作者:
M. Amrani
;
D. Bendeddouch
;
D. Bormann
;
A.
Krallafa
关键词:
Water
;
Molecular dynamics
;
Hydrogen bond network
;
Ice and liquid structure
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
2.
Theoretical study of the ν
作者:
Mohamed El Amine Benmalti
;
Abdelghani
Krallafa
;
Najeh Rekik
;
Mostefa Belhakem
关键词:
H-bond
;
Fermi resonance
;
Strong anharmonic coupling theory
;
Infrared spectra
;
Linear response theory
;
Indirect and direct relaxation
;
Davydov coupling
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2009
3.
Basicity of the aziridine, solvent and substituent effects: A theoretical study
作者:
R. Hadjadj-Aoul
;
A. Bouyacoub
;
A.
Krallafa
;
F. Volatron
关键词:
Aziridine
;
Basicity
;
Solvent effect
;
Substituent effect
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
4.
Theoretical investigations of CH
4
, C
2
H
6
, CO
2
and N
2
guest molecules into a dodecahedron water cluster cavities
作者:
F. Lebsir
;
A. Bouyacoub
;
D. Bormann
;
A.
Krallafa
关键词:
Gas hydrates
;
Hydrogen bond network
;
Vibrational frequencies
;
Morokuma decomposition
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
5.
Ab initio investigation of the topology and properties of three-dimensional clusters of water (H
2
O)
n
作者:
A. Sediki
;
F. Lebsir
;
L. Martiny
;
M. Dauchez
;
A.
Krallafa
关键词:
Water clusters
;
Structure
;
Interactions
;
Quantum mechanical calculations
刊名:Food Chemistry
出版年:2008
6.
Phototransformation studies of halo-substituted cinnamates by Raman spectrometry and quantum-chemical computations
作者:
B. Bounaceur
;
D. Bendedouch
;
A.
Krallafa
;
D. Bormann
关键词:
Quantum chemistry
;
Raman spectrometry
;
Phototransformation
;
Cinnamates
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2008
7.
Second order Raman spectra of Algerian Hassi-Messaoud asphaltene
作者:
Y. Bouhadda
;
T. Fergoug
;
E.Y. Sheu
;
D. Bendedouch
;
A.
Krallafa
;
D. Bormann
;
A. Boubguira
刊名:Fuel
出版年:2008
8.
Characterization of Algerian Hassi-Messaoud asphaltene structure using Raman spectrometry and X-ray diffraction
作者:
Y. Bouhadda
;
D. Bormann
;
E. Sheu
;
D. Bendedouch
;
A.
Krallafa
;
M. Daaou
刊名:Fuel
出版年:2007
9.
Theoretical and vibrational spectroscopic analysis of the COstretching mode of cholesteryl alkanoates: The particular case of the cholesteryl acetate
作者:
A. Zanoun
;
F. Hamza Reguig
;
M. Belhakem
;
A.
Krallafa
;
A. Belaidi
;
D. Bormann and G. Vergoten
关键词:
Cholesterol and related steroids
;
Conformational analysis
;
Vibrational analysis
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2005
10.
The particular behavior of the cholesteryl acetate by Raman spectroscopy studies in the spectral range 1700–1780 cm
−1
作者:
Bresson
;
S.
;
Khelifa
;
B.
;
Hamza Reguig
;
F.
;
Krallafa
;
A.
关键词:
Cholesteryl acetate
;
C
O carbonyl group
;
Raman spectroscopy
刊名:Materials Chemistry and Physics
出版年:2000
1
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