Dolatyari L., Seddigi P., Ramazani A., Amiri M.G.,
Morsali A.
A new Zn(II) complex of unusual unidentate
coordination of 4,4´-bipyridine, a new precursor for
preparation zinc(II) oxide nanoparticles
517
Keywords: zinc(II), 4,4-bipyridine, coordination polymer,
fluorescence, nanoparticles
?+"#) <.., >"#) .., # ., ;?69 . <...> Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Scalmani G., Barone V.,
Mennucci B., Petersson G.A., Caricato M., Li X., Hratchian H.P., Izmaylov A.F., Bloino J., Zheng G.S.,
Sonnenberg J.L., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y.,
Kitao O., Nakai H., Vreven T., Montgomery J.A.J., Peralta J.E., Ogliaro F., Bearpark M., Heyd J.J., Brothers E., Kudin K.N., Staroverov V.N., Kobayashi R., Normand J., Raghavachari K., Rendell A., Burant J.C.,
Iyengar S.S., Tomasi J., Cossi M., Rega N., Millam J.M., Klene M., Knox J.E., Cross J.B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Martin D., Morokuma K., Zakrzewski V.G., Voth G.A., Salvador P., Dannenberg J.J., Dapprich S.,
Daniels A.D., Farkas O., Foresman J.B., Ortiz J.V., Cioslowski J., Fox D.J. Gaussian 09, Wallingford CT,
Gaussian Inc., 2009. <...> Bond dissociation energies (BDEs) for the
removal of the NO2 group in benzenoid molecules are calculated at the same level. <...> In addition, the relationship between the impact sensitivities and the weakest BDE
values is examined. <...> There exists a good linear correlation between the impact sensitivity and
the ratio of the BDE value to the molecular total energy. <...> K e y w o r d s: density functional theory, bond dissociation energies (BDEs), benzenoid nitro
molecules, impact sensitivity. <...> INTRODUCTION
Energetic materials play an important role in aeronautics, the weapons industry <...>
Журнал_структурной_химии_№3_2013.pdf
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Li X.-H., Han D.-F., Zhang X.-Z.
Investigation of correlation between impact sensitivities
and bond dissociation energies in benzenoid nitro
compounds
Keywords: Density functional theory,
Bond dissociation energies (BDEs), benzenoid nitro molecules,
Impact sensitivity
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3, 2013
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Стр.1
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Ujam O.T., Henderson W., Nicholson B.K.
A zwitterionic monoalkylated derivative
of [Pt2(-S)2(PPh3)4] from 1,3-propanesultone
Keywords: platinum complex, alkylation reaction, zwitterions,
thiolate ligand, X-ray crystal structure
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Wang J., Tao J.-Q., Xu X.-J., Tan C.-Y.
Cadmiun(II) complex with (1'H-[2,2']biimidazoly-1-yl)acetic
acid: synthesis, crystal structure and luminescence
Keywords: Cd(II) complex, crystal structure, hydrogen bonding,
C—O··· interaction, photoluminescence
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Dolatyari L., Seddigi P., Ramazani A., Amiri M.G.,
Morsali A.
A new Zn(II) complex of unusual unidentate
coordination of 4,4´-bipyridine, a new precursor for
preparation zinc(II) oxide nanoparticles
Keywords: zinc(II), 4,4-bipyridine, coordination polymer,
fluorescence, nanoparticles
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{[2-(2-)-]}(II)
: 3d-,
,
,
Yu J.
Crystal structures of new isostructural oxovanadium(V)
complexes with hydrazone ligands
Keywords: oxovanadium complex, synthesis, crystal structure,
hydrazone
Xie H.-Q., Xiong Y., Dang Y.-L.
Zinc(II) complexes with tetradentate Schiff base ligand
N,N
synthesis and crystal structures
Keywords: zinc(II), Schiff base, synthesis, crystal structure
-bis(1-pyridin-2-yl-ethylidene)propane-1,3-diamine:
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