Accurate prediction of the structure and vibrational spectra of ionic liquid clusters with the generalized energy-based fragmentation approach: critical role of ion-pair-based fragmentation.

Li, Yunzhi; Yuan, Dandan; Wang, Qingchun; Li, Wei; Li, Shuhua

Li, Yunzhi; Yuan, Dandan; Wang, Qingchun; Li, Wei; Li, Shuhua.

Afiliación

Li Y; School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing, 210093, P. R. China. shuhua@nju.edu.cn.
Yuan D; School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing, 210093, P. R. China. shuhua@nju.edu.cn.
Wang Q; School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing, 210093, P. R. China. shuhua@nju.edu.cn.
Li W; School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing, 210093, P. R. China. shuhua@nju.edu.cn.
Li S; School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing, 210093, P. R. China. shuhua@nju.edu.cn.

Phys Chem Chem Phys ; 20(19): 13547-13557, 2018 May 16.

Article en En | MEDLINE | ID: mdl-29726875

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2018 Tipo del documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google