Anan Wu - researchr alias

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Viewing Publication 1 - 4 from 4

2014

Perturbative treatment of anharmonic vibrational effects on bond distances: An extended langevin dynamics methodTonghao Shen, Neil Qiang Su, Anan Wu, Xin Xu. jcc, 35(6):467-478, 2014. [doi]

2012

XO: An extended ONIOM method for accurate and efficient modeling of large systemsWenping Guo, Anan Wu, Igor Ying Zhang, Xin Xu. jcc, 33(27):2142-2160, 2012. [doi]

DCMB that combines divide-and-conquer and mixed-basis set methods for accurate geometry optimizations, total energies, and vibrational frequencies of large moleculesAnan Wu, Xin Xu. jcc, 33(16):1421-1432, 2012. [doi]

2007

Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: The density functional modelsAnan Wu, Ying Zhang, Xin Xu, Yijing Yan. jcc, 28(15):2431-2442, 2007. [doi]

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