Aminoalkyl and alkylaminium free radicals and related species: structures, thermodynamic properties, reduction potentials, and aqueous free energies
暂无分享,去创建一个
The structures of H 2 NCH 2 + , H 2 NCH 2 . , H 2 NCH 3 , H 2 NCH 3 .+ , H 3 NCH 2 .+ , (CH 3 ) 2 NCH 2 + , (CH 3 ) 2 NCH 2 . , (CH 3 ) 3 N, and (CH 3 ) 3 N .+ were optimized at the HF/6-31G * and MP2/6-31+G * levels, and the frequencies were calculated at the HF/6-31G * level