SAMPL6 host–guest binding affinities and binding poses from spherical-coordinates-biased simulations von Sun, Zhaoxi, He, Qiaole, Li, Xiao, Zhu, Zhengdan

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A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions von Sun, Zhaoxi, He, Qiaole, Gong, Zhihao, Kalhor, Payam, Huai, Zhe, Liu, Zhirong

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A principle of stream arrangement based on uniformity factor for heat exchanger networks synthesis von He, Qiaole, Cui, Guomin

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Seeding the multi-dimensional nonequilibrium pulling for Hamiltonian variation: indirect nonequilibrium free energy simulations at QM levels von Sun, Zhaoxi, He, Qiaole

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A General Picture of Cucurbit[8]uril Host-Guest Binding von Sun, Zhaoxi, Huai, Zhe, He, Qiaole, Liu, Zhirong

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BAR-based multi-dimensional nonequilibrium pulling for indirect construction of a QM/MM free energy landscape von Wang, Xiaohui, He, Qiaole, Sun, Zhaoxi

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Adsorption behaviors and kinetics studies of chitooligosaccharides with specific degree of polymerization on a novel ion-exchange resin von Hou, Yanying, Liu, Lujie, He, Qiaole, Zhang, Di, Jin, Jiayang, Jiang, Banghe, Zhao, Liming

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Molecular modelling of ionic liquids: Physical properties of species with extremely long aliphatic chains from a near-optimal regime von Sun, Zhaoxi, Kayal, Abhijit, Gong, Zhihao, Zheng, Lei, He, Qiaole

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BAR-based multi-dimensional nonequilibrium pulling for indirect construction of a QM/MM free energy landscapeElectronic supplementary information (ESI) available: Structures of sim... von Wang, Xiaohui, He, Qiaole, Sun, Zhaoxi

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Molecular Modeling of Ionic Liquids: Force‐Field Validation and Thermodynamic Perspective from Large‐Scale Fast‐Growth Solvation Free Energy Calculations von Sun, Zhaoxi, Wang, Mao, He, Qiaole, Liu, Zhirong

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Chemical accuracy prediction of molecular solvation and partition in ionic liquids with educated estimators von Zhang, Zuo-yuan, Wang, Xiaohui, He, Qiaole, Sun, Zhaoxi

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Accurate modelling of pyrrolidinium ionic liquids with charge and vdW scaling von Sun, Zhaoxi, Liu, Xiao, Zheng, Lei, Cheng, Tong, Kalhor, Payam, Huai, Zhe, He, Qiaole, Li, Yang

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Sulfur-substitution-induced base flipping in the DNA duplex von Sun, Zhaoxi, Wang, Xiaohui, Zhang, John Z. H, He, Qiaole

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Identification of the coupled fouling mechanism involved in microfiltration of tobacco extracts liquid by multistage Hermia model von Gao, Mengfeng, He, Qiaole, Dong, Huizhong, Wang, Jiale, Shi, Junfeng, Xie, Chuanqi, Lo, Yangming Martin, Zhao, Liming

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ZITS++: Image Inpainting by Improving the Incremental Transformer on Structural Priors von Cao, Chenjie, Dong, Qiaole, Fu, Yanwei

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Multifunctional RGO/Ti3C2Tx MXene fabrics for electrochemical energy storage, electromagnetic interference shielding, electrothermal and human motion detection von Zheng, Xianhong, Nie, Wenqi, Hu, Qiaole, Wang, Xuewei, Wang, Zongqian, Zou, Lihua, Hong, Xinghua, Yang, Haiwei, Shen, Jiakun, Li, Changlong

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Vapor phase polymerized conducting polymer/MXene textiles for wearable electronics von Zheng, Xianhong, Shen, Jiakun, Hu, Qiaole, Nie, Wenqi, Wang, Zongqian, Zou, Lihua, Li, Changlong

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The role and outcomes of music therapy during pregnancy: a systematic review of randomized controlled trials von Ji, Chao, Zhao, Jing, Nie, Qiaole, Wang, Shuo

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Graphene-based fibers for the energy devices application: A comprehensive review von Zheng, Xianhong, Hu, Qiaole, Zhou, Xiaoshuang, Nie, Wenqi, Li, Changlong, Yuan, Ningyi

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Roll-to-roll layer-by-layer assembly bark-shaped carbon nanotube/Ti3C2Tx MXene textiles for wearable electronics von Zheng, Xianhong, Hu, Qiaole, Wang, Zongqian, Nie, Wenqi, Wang, Peng, Li, Changlong

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