Gas-phase alkyl and N-alkylamino cation affinities of anionic alpha-oxygen nucleophiles (H n XO-; X = N, P, As, O, S, Se, F, Cl, Br; n = 0-2): a theoretical G2(+)M study.

Geng, Song; Liu, Yun-Yun; Xue, Ying

Gas-phase alkyl and N-alkylamino cation affinities of anionic alpha-oxygen nucleophiles (H _n XO^-; X = N, P, As, O, S, Se, F, Cl, Br; n = 0-2): a theoretical G2(+)_M study.

Geng, Song; Liu, Yun-Yun; Xue, Ying.

Afiliação

Geng S; College of Chemistry, Key Laboratory of Green Chemistry and Technology in Ministry of Education, Sichuan University, Chengdu, 610064, People's Republic of China.
Liu YY; College of Chemistry, Key Laboratory of Green Chemistry and Technology in Ministry of Education, Sichuan University, Chengdu, 610064, People's Republic of China.
Xue Y; College of Chemistry, Key Laboratory of Green Chemistry and Technology in Ministry of Education, Sichuan University, Chengdu, 610064, People's Republic of China. yxue@scu.edu.cn.

J Mol Model ; 24(1): 4, 2017 Dec 05.

Article em En | MEDLINE | ID: mdl-29209816

Palavras-chave

Alkyl cation affinity (ACA); Anionic alpha-oxygen nucleophiles; N-alkylamino cation affinity (NAAMCA); SN2 reaction

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Mol Model Ano de publicação: 2017 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Mol Model Ano de publicação: 2017 Tipo de documento: Article