标题:Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory
作者:Liu, JF[1];He, X[2,3];Zhang, JZH[2,3,4];Qi, LW[1]
作者全称:Liu, Jinfeng[1];He, Xiao[2,3];Zhang, John Z. H.[2,3,4];Qi, Lian-Wen[1]
通讯作者:Qi, Lian-Wen(Qilw@cpu.edu.cn)
通讯作者地址:Qi, LW (reprint author), China Pharmaceut Univ, Dept Basic Med & Clin Pharm, State Key Lab Nat Med, Nanjing 210009, Jiangsu, Peoples R China.
出版年:2018
卷:9
期:8
页码:2065-2073
摘要:An accurate and efficient ab initio molecular dynamics (AIMD) simulation of liquid water was made possible using the fragment-based approach (J.F. Liu 更多
收录类别:EI;SCIE;SCOPUS
资源类型:外文期刊论文
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