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Showing 1 to 1 of 1 for “"diazomethanes"”.
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Substituent Effects: A Computational Study on Stabilities of Cumulenes and Low Barrier Hydrogen Bonds
… the stabilities of cumulenes-ketenes, allenes, diazomethanes and isocyanates and related systems-alkynes, nitriles and nitrile oxides is studied using the density functional theory (B3LYP, SVWN and BP86) and ab initio (HF, MP2) calculations at the 6-31G* basis set level. Using isodesmic …