921. The Molecular Surface Property Approach: A Guide to Chemical Interactions in Chemistry, Medicine, and Material Science. Issue 1 (25th November 2018) Authors: Brinck, Tore; Stenlid, Joakim H. Journal: Advanced theory and simulations Issue: Volume 2:Issue 1(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
922. The Nature of Ion‐Pair Recognition by Tetra‐phosphonate Calix[4]pyrroles. Issue 3 (12th February 2018) Authors: Wang, Teng; Liu, Jingjing Journal: Advanced theory and simulations Issue: Volume 1:Issue 3(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
923. The Potential of Phosphorus Nitride Monolayer for Li–S Battery from the Anchoring and Diffusing Perspective: A First‐Principles Study. Issue 3 (6th December 2021) Authors: Zheng, Xinyi; Lin, Shiru; Kong, Dalin; Wei, Yadong; Pang, Kaijuan; Ku, RuiQi; Kaner, Ngeywo Tolbert; Xu, Xiaodong; Sha, Ming; Liu, Jinhong; Huang, Hongxi; Yang, Jianqun; Shi, HongYan; Li, Xingji; Li, Weiqi Journal: Advanced theory and simulations Issue: Volume 5:Issue 3(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
924. The Reliability of the Density‐Functional Theory in Actinide Endohedral Systems. Issue 10 (2nd September 2019) Authors: Wang, Jianpeng; Xie, Weiyu; Jiang, Wanrun; Wu, Xiaochen; Wang, Zhigang Journal: Advanced theory and simulations Issue: Volume 2:Issue 10(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
925. The Role of Electrostatic Interaction between Free Charge Carriers and Counterions in Thermoelectric Power Factor of Conducting Polymers: From Crystalline to Polycrystalline Domains. Issue 6 (28th April 2020) Authors: Shi, Wen; Yildirim, Erol; Wu, Gang; Wong, Zicong Marvin; Deng, Tianqi; Wang, Jian‐Sheng; Xu, Jianwei; Yang, Shuo‐Wang Journal: Advanced theory and simulations Issue: Volume 3:Issue 6(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
926. The Role of Graphene in Enhancing the Material Properties of Thermosetting Polymers. Issue 5 (18th February 2019) Authors: Vassaux, Maxime; Sinclair, Robert C.; Richardson, Robin A.; Suter, James L.; Coveney, Peter V. Journal: Advanced theory and simulations Issue: Volume 2:Issue 5(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
927. The Signature Features of COVID‐19 Pandemic in a Hybrid Mathematical Model—Implications for Optimal Work–School Lockdown Policy. Issue 5 (25th March 2021) Authors: Lazebnik, Teddy; Bunimovich‐Mendrazitsky, Svetlana Journal: Advanced theory and simulations Issue: Volume 4:Issue 5(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
928. The Systematic Study on the Stability and Superconductivity of Y‐Mg‐H Compounds under High Pressure. Issue 3 (18th January 2022) Authors: Song, Peng; Hou, Zhufeng; de Castro, Pedro Baptista; Nakano, Kousuke; Takano, Yoshihiko; Maezono, Ryo; Hongo, Kenta Journal: Advanced theory and simulations Issue: Volume 5:Issue 3(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
929. The Transient Response of Organic Electrochemical Transistors. Issue 5 (20th February 2022) Authors: Paudel, Pushpa R.; Skowrons, Michael; Dahal, Drona; Radha Krishnan, Raj Kishen; Lüssem, Björn Journal: Advanced theory and simulations Issue: Volume 5:Issue 5(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
930. The Use of Deep Learning to Fast Evaluate Organic Photovoltaic Materials. Issue 1 (13th November 2018) Authors: Sun, Wenbo; Li, Meng; Li, Yong; Wu, Zhou; Sun, Yuyang; Lu, Shirong; Xiao, Zeyun; Zhao, Baomin; Sun, Kuan Journal: Advanced theory and simulations Issue: Volume 2:Issue 1(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗