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Hosseinnejad T., Ahmadi S.J., Karimi-Jafari M.H.
Computational study on the structure and properties
of ternary complexes of Ln3+ (Ln = La, Ce, Nd and Sm) with
5,7-dichloro quinoline-8-ol and 4-vinyl pyridine
Keywords: ion imprinting, lanthanide complexes,
density functional theory, polarized continuum model, conformational
distribution
Liang J.X., Wang Y.B., Geng Z.Y., Wang Y.Z., Wang Y.C.
Gas-phase reaction of isobutenyl anion with N2O
from ab initio calculations
Keywords: isobutenyl anion, reaction mechanism,
second-order Møller–Plesset perturbation theory (MP2)
Musa A.Y., Ahmoda W., Al-Amiery A.A., Kadhum A.A.H.,
Mohamad A.B.
Quantum chemical calculation for the inhibitory effect
of compounds
Keywords: corrosion inhibition, quantum chemical parameter,
thio, QSAR
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2013
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2, 2013
Стр.1
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Pd(II)–Cu(II)
1--1,1-
: Pd(II) Cu(II),
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Karakaya M., Ucun F.
Spectral analysis of acetylcholine halides by density functional
theory calculations
Keywords: acetylcholine halide, vibration, DFT, IR, Raman, NMR
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NaCl
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6,11--9--7,8--
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[Zn3(DMA)2(bpdc)3]·3DMA
[Zn3(im)2(bdc)3]·1,5H2O
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1,1- – 1,1--2,8--5
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Стр.2
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(II) 4,4,10,10--1,3,7,9[5.5]-2,8-
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4-[(1,3--1,3-2H--2-)]-1--1H--5
4-[(1,3--1,3--2H-2-)]-1--1H--3-
: 4-[(1,3--1,3--2H--2)]-1--1H--5-,
4-[(1,3-1,3--2H--2-)]-1--1H--3,
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Hosseinifard M., Hashemi L., Amani V., Morsali A.
Characterization of pure phase Zn(II) oxide nanoparticles
via thermal decomposition of two zinc(II) complexes
of the 6,6-dimethyl-2,2-bipyridine ligand
Keywords: nano-particle,
6,6-dimethyl-2,2-bipy, Zn(II), surfactant
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328
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312
306
Стр.3