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Papers authored by Wei Li

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2019 Zhigang Ni, Yuqi Wang, Wei Li

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Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems

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Yuqi Wang, Zhigang Ni, Wei Li

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Cluster-in-Molecule Local Correlation Approach for Periodic Systems

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Fangjia Fu, Kang Liao, Jing Ma

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, Zheng Cheng, Dong Zheng, Liuzhou Gao, Chungen Liu

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, Wei Li

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How intermolecular interactions influence electronic absorption spectra: insights from the molecular packing of uracil in condensed phases

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2018 Zhigang Ni, Wei Li

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Fully optimized implementation of the cluster-in-molecule local correlation approach for electron correlation calculations of large systems

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Dandan Yuan, Yunzhi Li, Wei Li

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Structures and properties of large supramolecular coordination complexes predicted with the generalized energy-based fragmentation method

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2017 Dongbo Zhao, Ruiheng Song, Wei Li

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, Jing Ma

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, Hao Dong

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Accurate Prediction of NMR Chemical Shifts in Macromolecular and Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method

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Dandan Yuan, Yunzhi Li, Zhigang Ni, Peter Pulay

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, Wei Li

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Benchmark Relative Energies for Large Water Clusters with the Generalized Energy-Based Fragmentation Method

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