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Melatonin-directed micellization: a case for tryptophan metabolites and their classical bioisosteres as templates for the self-assembly of bipyridinium-based supramolecular amphiphiles in water. 期刊论文
Soft Matter, 2018, 卷号: Vol.14 No.15, 页码: 2893-2905
作者:  Wang, Z.a;  Cui, H.b,e;  Sun, Z.a;  Roch, L.M.a,c,f;  Goldner, A.N.b,g
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/21
Performance analysis of open-source distributed file systems for practical large-scale molecular ab initio, density functional theory, and GW + BSE calculations 期刊论文
International Journal of Quantum Chemistry, 2018, 卷号: Vol.118 No.1
作者:  Roch, L.M.a,b;  Aleksiev, T.c;  Murri, R.c;  Baldridge, K.K.a,b
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/21
General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory. 期刊论文
Physical Chemistry Chemical Physics, 2017, 卷号: Vol.19 No.38, 页码: 26191-26200
作者:  Roch, L.M.a,b,c;  Baldridge, K.K.a,b
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