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Journal of Molecular Structure: THEOCHEM, Vol. 668, Iss. 1, 2004-01 ,pp. : 35-39

Elsevier

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IR Spectra and DFT Calculations of ­M–η2‐(NC)–CH3, CH3–MNC, and CH2=M(H)NC Prepared by Reactions of Laser‐Ablated Hf and Ti Atoms with Aceto­nitrile

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EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (ELECTRONIC), Vol. 2015, Iss. 26, 2015-09 ,pp. : 4379-4387

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The formation and isomerization of 3-amino-2-butenenitrile (diacetonitrile) and its anion, followed by IR spectra, ab initio and DFT force field calculations

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Journal of Molecular Structure: THEOCHEM, Vol. 636, Iss. 1, 2003-09 ,pp. : 167-183

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Ab initio and DFT conformational study on nitrosamine (H 2 N-N=O) and N -Nitrosodimethylamine [(CH 3 ) 2 N-N=O]

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Ab initio RHF and density functional B3LYP and B3PW91 study of (NPF 2 ) n ; n=2,3,4 and (NPX 2 ) 3 ; X=H, Cl, Br cyclic phosphazenes

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