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ACS Applied Materials & Interfaces|October 4, 2017
Efficient Solar Cells Based on Porphyrin Dyes with Flexible Chains Attached to the Auxiliary Benzothiadiazole Acceptor: Suppression of Dye Aggregation and the Effect of DistortionGuosheng Yang, Yunyu Tang, Xin Li, et al.ACS Applied Materials & Interfaces|November 20, 2015
Pyrimidine-2-carboxylic Acid as an Electron-Accepting and Anchoring Group for Dye-Sensitized Solar CellsZhifang Wu, Xin Li, Hans Ågren, et al.Journal of Chemical Theory and Computation|November 26, 2015
Binding Mechanism and Magnetic Properties of a Multifunctional Spin Label for Targeted EPR Imaging of Amyloid Proteins: Insight from Atomistic Simulations and First-Principles CalculationsXin Li, Zilvinas Rinkevicius, Jacob Kongsted, et al.The Journal of Organic Chemistry|October 31, 2012
A ferrocene-functionalized [2]rotaxane with two fluorophores as stoppersHui Zhang, Bin Zhou, Hong Li, et al.Journal of Chemical Theory and Computation|May 26, 2016
Optical Properties of Gold Nanoclusters Functionalized with a Small Organic Compound: Modeling by an Integrated Quantum-Classical ApproachXin Li, Vincenzo Carravetta, Cui Li, et al.The Journal of Physical Chemistry. B|February 23, 2012
Molecular dynamics simulations of the surface tension and structure of salt solutions and clustersLu Sun, Xin Li, Thomas Hede, et al.Physical Chemistry Chemical Physics : PCCP|October 31, 2014
Molecular dynamics simulations reveal the assembly mechanism of polysaccharides in marine aerosolsLu Sun, Xin Li, Thomas Hede, et al.Organic Letters|November 14, 2012
A switchable ferrocene-based [1]rotaxane with an electrochemical signal outputHong Li, Hui Zhang, Qiong Zhang, et al.ACS Applied Materials & Interfaces|November 27, 2015
Porphyrins Containing a Triphenylamine Donor and up to Eight Alkoxy Chains for Dye-Sensitized Solar Cells: A High Efficiency of 10.9%Yunyu Tang, Yueqiang Wang, Xin Li, et al.Journal of Chemical Theory and Computation|November 19, 2015
A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous EnvironmentsZilvinas Rinkevicius, Xin Li, Jaime A R Sandberg, et al.Pageof 3,130