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 | Zendy

ŞAFAK ÖZHAN KOCAKAYA | Zendy; NECMETTİN PİRİNÇÇİOĞLU | Zendy

Open Access

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

Author(s) -

ŞAFAK ÖZHAN KOCAKAYA,

NECMETTİN PİRİNÇÇİOĞLU

Publication year - 2010

Publication title -

turkish journal of chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.239

H-Index - 46

eISSN - 1303-6130

pISSN - 1300-0527

DOI - 10.3906/kim-0909-272

Subject(s) - chemistry , density functional theory , basis set , hydrogen bond , computational chemistry , internal rotation , solvent effects , molecule , polar , sigma , solvent , quantum mechanics , organic chemistry , mechanical engineering , physics , engineering

doi:10.3906/kim-0909-272 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 calculation

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