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Juhász M., Takahashi S., Arulmozhiraja S., Fujii T.
Bond tenergies (Pt–NH3, Pt–Cl) and proton affinity
of cisplatin: a density functional theory approach
Keywords: cis-diamminedichloroplatinum(II), bond strength,
cation affinities, B3LYP density functional
Yu X.L., Tan Z.D., Wang X.Y.
Prediction of monomers reactivity parameters
using quantum chemical descriptors
Keywords: artificial neural network, density functional theory, monomer,
radical copolymerization, QSPR, quantum chemical descriptors
449
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2
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425
- 6
3, 2012
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Стр.1
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Beyramabadi S.A., Morsali A., Vahidi S.H., Khoshkholgh M.J.,
Esmaeili A.A.
N, N-dipyridoxyl(ethylenediamine) Schiff-base ligand
and its square-pyramidal copper(II) complex:
synthesis, experimental and theoretical characterization
Keywords: DFT, IR assignment, NMR, Schiff base, salen, copper(II)
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Стр.2
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[Co(NH3)6][Rh(NO2)6] [Co(NH3)6][(NO2)3Rh ( - NO2)1 + x
( - OH)2 xRh(NO2)3] · (2 x)(H2O), x = 0,17
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Cui G.-H., Geng J.-C., Liu T.-F., Peng X., He C.-H., Jiao C.-H.
Structure and characterization of A 1D double chain
copper(II) complex {[Cu(BIX)2(H2O)2](PhCOO)2}n
Keywords 1,4-bis(imidazole-1-methyl)benzene, benzoate,
coordination polymers, copper complex
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[Pd(En)2](ReO4)2, [Pd(En)2](NO3)2 [PdL2](ReO4)2
(L – N, N--1,2-)
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[Pd(NH3)4]3[Rh(NO2)6]2,
[Pd(NH3)4]3[Rh(NO2)6]2·H2O –
Pd–Rh
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Ma H.X., Zhao N.N., Yan B., Guan Y.L., Li J.F., Song J.R.
Molecular structure, quantum chemical investigation
and thermal behavior of (DNAZ-CO)2
Keywords: bis-(3,3-dinitroazetidinyl)-oxamide ((DNAZ-CO)2),
molecular structure, quantum chemical investigation, thermal behavior
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Стр.3