Revisiting the solvation enthalpies and free energies of the proton and electron in various solvents

出版年份 2016 全文链接

标题

作者

关键词

Solvated proton and electron, Solvation enthalpy and Gibbs energy, Ab initio, and DFT methods, SMD solvation method

出版物

Volume 1077, Issue -, Pages 11-17

出版商

Elsevier BV

发表日期

2015-09-26

DOI

10.1016/j.comptc.2015.09.007

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