Şafak Özhan Kocakaya And Necmettin PİRİNÇÇİOĞLU

A theoretical study of the effects of polar substitution on the activation barriers for internal rotation around the C-N bond in p-substituted nitrosobenzenes: comparison of DFT and MP2 calculations

A theoretical study of the effects of polar substitution on the activation barriers for internal rotation around the C-N bond in p-substituted nitrosobenzenes: comparison of DFT and MP2 calculations

Turkish Journal of Chemistry

2010-Cilt: 34 - Sayı: 3

399-410

Para-substituted nitrosobenzenes, C-N bond rotation, polar substituent effect, molecular modelling DFT, MP2, PCM.

Para-substituted nitrosobenzenes, C-N bond rotation, polar substituent effect, molecular modelling DFT, MP2, PCM.

3818

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