CORC

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CORC

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Vapor-liquid coexisting morphology of all-atom water model through generalized isothermal isobaric ensemble molecular dynamics simulation 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 期号: 13
作者:  Yin Ling-Kang;  Xu Shun;  Jeong, Seongmin;  Jho, Yongseok;  Wang Jian-Jun
收藏  |  浏览/下载：28/0  |  提交时间：2018/05/25
Terminal pi-pi stacking determines three-dimensional molecular packing and isotropic charge transport in an A-pi-A electron acceptor for non-fullerene organic solar cells 期刊论文
JOURNAL OF MATERIALS CHEMISTRY C, 2017, 卷号: 5, 期号: 20, 页码: 4852-4857
作者:  Han, Guangchao;  Guo, Yuan;  Song, Xiaoxian;  Wang, Yue;  Yi, Yuanping
收藏  |  浏览/下载：18/0  |  提交时间：2019/04/09
Transferability of a coarse-grained atactic polystyrene model: the non-bonded potential effect 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 43, 页码: 29808-29824
作者:  Xiao, Qiang;  Guo, Hongxia
收藏  |  浏览/下载：29/0  |  提交时间：2019/04/09
Multiscale description of molecular packing and electronic processes in small-molecule organic solar cells 期刊论文
CHINESE CHEMICAL LETTERS, 2016, 卷号: 27, 期号: 8, 页码: 1453-1463
作者:  Shen, Xing-Xing;  Han, Guang-Chao;  Yi, Yuan-Ping
收藏  |  浏览/下载：20/0  |  提交时间：2017/01/11
P3HT:DiPBI bulk heterojunction solar cells: morphology and electronic structure probed by multiscale simulation and UV/vis spectroscopy 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 8, 页码: 6217-6227
作者:  Winands, Thorsten;  Boeckmann, Marcus;  Schemme, Thomas;  Phong-Minh Timmy Ly;  de Jong, Djurre H.
收藏  |  浏览/下载：16/0  |  提交时间：2017/01/23
Revealing the influence of the solvent evaporation rate and thermal annealing on the molecular packing and charge transport of DPP(TBFu)(2) 期刊论文
JOURNAL OF MATERIALS CHEMISTRY C, 2016, 卷号: 4, 期号: 21, 页码: 4654-4661
作者:  Han, Guangchao;  Shen, Xingxing;  Duan, Ruihong;  Geng, Hua;  Yi, Yuanping
收藏  |  浏览/下载：21/0  |  提交时间：2017/01/18
Developing coarse-grained potentials for the prediction of multi-properties of trans-1,4-polybutadiene melt 期刊论文
POLYMER, 2015, 卷号: 69, 页码: 25-38
作者:  Gao, Peiyuan;  Guo, Hongxia
收藏  |  浏览/下载：26/0  |  提交时间：2015/10/27
Conformation Diversity of a Fused-Ring Pyrazine Derivative on Au(111) and Highly Ordered Pyrolytic Graphite 期刊论文
CHEMISTRY-AN ASIAN JOURNAL, 2015, 卷号: 10, 期号: 6, 页码: 1311-1317
作者:  Yan, Hui-Juan;  Saendig, Nadja;  Wang, Haifeng;  Wang, Dong;  Zerbetto, Francesco
收藏  |  浏览/下载：16/0  |  提交时间：2015/10/29
Transferability of the coarse-grained potentials for trans-1,4-polybutadiene 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 47, 页码: 31693-31706
作者:  Gao, Peiyuan;  Guo, Hongxia
收藏  |  浏览/下载：16/0  |  提交时间：2016/01/12
Transferability of Coarse-Grained Force Field for nCB Liquid Crystal Systems 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 17, 页码: 4647-4660
作者:  Zhang, Jianguo;  Guo, Hongxia
收藏  |  浏览/下载：9/0  |  提交时间：2019/04/09

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