1. Ab initio study of the π–π interactions between CO2 and benzene, pyridine, and pyrrole. Issue 20 (24th May 2013) Authors: Chen, Long; Cao, Fenglei; Sun, Huai Journal: International journal of quantum chemistry Issue: Volume 113:Issue 20(2013:Oct. 15) Page Start: 2261 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. All-atom and coarse-grained force fields for polydimethylsiloxane. Issue 18 (12th December 2017) Authors: Huang, Hao; Cao, Fenglei; Wu, Liang; Sun, Huai Journal: Molecular simulation Issue: Volume 43:Issue 18(2017) Page Start: 1513 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Engineering spherical lead zirconate titanate to explore the essence of piezo-catalysis. (October 2017) Authors: Feng, Yawei; Ling, Lili; Wang, Yanxu; Xu, Zhenmin; Cao, Fenglei; Li, Hexing; Bian, Zhenfeng Journal: Nano energy Issue: Volume 40(2017:Oct.) Page Start: 481 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Exploring the Liquid Structure and Ion Formation in Magnesium Borohydride Electrolyte Using Density Functional Theory. Issue 2 (1st January 2018) Authors: Deetz, Joshua D.; Cao, Fenglei; Wang, Qi; Sun, Huai Journal: Journal of the Electrochemical Society Issue: Volume 165:Issue 2(2018) Page Start: A61 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Exploring the Liquid Structure and Ion Formation in Magnesium Borohydride Electrolyte Using Density Functional Theory. Issue 2 (4th January 2018) Authors: Deetz, Joshua D.; Cao, Fenglei; Wang, Qi; Sun, Huai Journal: Journal of the Electrochemical Society Issue: Volume 165:Issue 2(2018) Page Start: A61 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Exploring the Synergy of LiBH4/NaBH4 Additives with Mg(BH4)2 Electrolyte Using Density Functional Theory. Issue 11 (10th August 2018) Authors: Deetz, Joshua D.; Cao, Fenglei; Sun, Huai Journal: Journal of the Electrochemical Society Issue: Volume 165:Issue 11(2018) Page Start: A2451 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Exploring the Synergy of LiBH4/NaBH4 Additives with Mg(BH4)2 Electrolyte Using Density Functional Theory. Issue 11 (1st January 2018) Authors: Deetz, Joshua D.; Cao, Fenglei; Sun, Huai Journal: Journal of the Electrochemical Society Issue: Volume 165:Issue 11(2018) Page Start: A2451 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Hierarchical atom type definitions and extensible all‐atom force fields. Issue 7 (5th November 2015) Authors: Jin, Zhao; Yang, Chunwei; Cao, Fenglei; Li, Feng; Jing, Zhifeng; Chen, Long; Shen, Zhe; Xin, Liang; Tong, Sijia; Sun, Huai Journal: Journal of computational chemistry Issue: Volume 37:Issue 7(2016) Page Start: 653 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. On the prediction of transport properties of ionic liquid using 1-n-butylmethylpyridinium tetrafluoroborate as an example. Issue 18 (12th December 2017) Authors: Ma, Jie; Zhang, Zhendian; Xiang, Yan; Cao, Fenglei; Sun, Huai Journal: Molecular simulation Issue: Volume 43:Issue 18(2017) Page Start: 1502 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Predicting the adsorption of n-perfluorohexane (n-C6F14) on BAM-P109 activated carbon using an ab initio force field. Issue 1 (February 2016) Authors: Cao, Fenglei; Jing, Zhifeng; Sun, Huai Journal: Adsorption science & technology Issue: Volume 34:Issue 1(2016) Page Start: 110 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗