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Tong Y.C., Wang Q.Y., Li Z., Yu L.B.
DFT study on the CO catalytic oxidation reaction
on the PtCu-embedded graphene
Keywords: CO catalytic oxidation, density functional theory,
PtCu/graphene
Ardestani E., Ghiasi R., Tabatabai J.M.
Theoretical study of arene ligand effect on the structure
and properties of Cr(CO)3(arene) complexes
(arene=benzene, biphenyl, triphenly, tetraphenyl)
Keywords: arene complex, substituent effect,
energy decomposition analysis (EDA), hyperpolarizability
Sadeghi N., Ghiasi R., Jamehbozorgi S.
A computational approach for hydrolysis
of the third-generation
anticancer drug:
trans-platinum(II) complex of 3-aminoflavone
Keywords: transplatin, anticancer drug, solvent effect, hydrolysis,
thermodynamics and kinetics
2018
1856
1849
1842
1834
1827
- 8
8, 2018
Стр.2
Yldrm S.Ö., Büyükmumcu Z., Doan.D., Butcher R.J.
Redetermination and density functional studies
of N,N'-(disulfanediyldibenzene-2,1-diyl)dipyridine-2carboxamide
Keywords:
structural analysis, acyl azide, density functional theory,
NBO analysis
Odame F., Hosten E.C.
Synthesis, characterization and computional studies
of triazatetracyclo acetamide
Keywords: triazatetracyclic, acetyl chloride, frontier orbital,
HOMO–LUMO
Bazian A., Beyramabadi S.A., Davoodnia A., Bozorgmehr M.R.,
Pordel M.
A theoretical investigation on the regioselectivity
of the Diels–Alder cycloaddition
of 9-(methoxymethyl)-anthracene and citraconic anhydride
Keywords: DFT, Diels–Alder, cycloaddition, regioselectivity, anthracene
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1896
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Kichou N., Guechtouli N., Zaater S., Meghezzi H., Hank Z.
DFT calculations and spectroscopic studies
of some Ni-dimethylglyoxime based complexes
isolated by hydrothermal process
Keywords: nickel, dimethylglyoxime, hydrothermal process,
metal complexes, DFT
.., .., ..
-
(5,10,15,20-21H,23H)(V)
/
: (V), ,
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1975
1966
1960
1953
1942
1929
Стр.4
Wang D.-W., Yang B., Zhao N., Shi Z.-J., Wang Y., Yang S.-L.
Crystal structure of a new Zn(II) coordination
polymer based on a chiral salen Schiff base
Keywords: crystal structure, chiral Schiff base, Zn(II) complex,
coordination polymer
Yuan C., Liu S.N., Xu X.J.
Crystal structure and luminescence of a novel binuclear
zinc(II) complex with di-2-pyridylamine
and 4,4'-sulfonyldibenzoate
Keywords: Zn(II) complex, di-2-pyridylamine,
4,4'-sulfonyldibenzoic acid, crystal structure, luminescence
Yuan C., Liu S.N., Xu X.J.
Synthesis, crystal structure and fluorescent property
of a one-dimensional coordination polymer constructed
by 1,3-bis(1,2,4-triazol-1-ylmethyl)-benzene
and 4,4'-oxydiphthalic acid
Keywords: Cd(II) complex, 4,4'-oxydiphthalic acid,
1,3-bis(1,2,4-triazol-1-ylmethyl)benzene, crystal structure, fluorescent
property
Abu-Yamin A.A., AlDamen M.A., Sinnokrot M.O., Juwhari H.K.,
Salman M., Sarairah I., Al-hawarin J., Mubarak M.S.
Synthesis, characterization, crystal structure and fluorescence
of a new samarium Schiff base complex
Keywords: samarium, Schiff base, fluorescence,
crystal structure, Sparkle/PM7
Amani V., Alizadeh R., Khosrojerdy A.
Mercury(II) mixed-ligand coordination polymer constructed
from 4,7-diphenyl-1,10-phenanthroline and thiocyanate
ligands:
Crystal structure studies, spectroscopic characterization
and thermal analyses
Keywords: crystal structure, mercury(II) complex,
4,7-diphenyl-1,10-phenanthroline, thermal gravimetric analysis,
differential thermal analysis, luminescence spectroscopy
XV I II
, 20-24 2016 .
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