1. Wenyan Shi, Wei Xu, Hui Cang, Xiuhua Yan, Rong Shao(*), Yuehua Zhang, Mingzhu Xia(*), Design and synthesis of biodegradable antiscalant based on MD simulation of antiscale mechanism: A case of itaconic acid-epoxysuccinate copolymer[J]. Computational Materials Science, 2017, 136:118-125.
2. Wenyan Shi, Yuting Chu, Mingzhu Xia(*), Wu Lei, Fengyun Wang, Crystal Morphology Prediction of 1,3,3-Trinitroazetidine in Ethanol Solvent by Molecular Dynamics Simulation[J]. Journal of Molecular Graphics and Modelling, 2016, 3: 94-100.
3. Wenyan Shi, Mingzhu Xia(*), Wu Lei, Fengyun Wang, Solvent Effect on the Crystal Morphology of 2,6-Diamino-3,5-Dinitropyridine-1-Oxide: A Molecular Dynamics Simulation Study[J]. Journal of Molecular Graphics and Modelling, 2014, 50: 71-77.
4. Wenyan Shi, Mingzhu Xia(*), Wu Lei, Fengyun Wang, Molecular Dynamics Simulation of Polyether Polyamino Methylene Phosphonates as an Inhibitor of Anhydrite Crystal[J]. Desalination, 2013, 322: 137-143.
5. Wen-Yan Shi(*), Cheng Ding, Jin-Long Yan, Xiang-Yun Han, Zhi-Min Lv(*), Wu Lei, Ming-Zhu Xia, Feng-Yun Wang, Molecular Dynamics Simulation for Interaction of PESA and Acrylic Copolymers with Calcite Crystal Surfaces[J]. Desalination, 2012, 291: 8-14
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