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收藏WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy SimulationWFOT: 用于光谱模拟的单参考和多参考电子结构方法之间的波函数重叠工具
Loreti, Alessandro; Freixas, Victor Manuel; Avagliano, Davide; Segatta, Francesco; Song, Huajing; Tretiak, Sergei; Mukamel, Shaul; Garavelli, Marco; Govind, Niranjan; Nenov, Artur
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收藏NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations
Freixas, Victor M.; Malone, Walter; Li, Xinyang; Song, Huajing; Negrin-Yuvero, Hassiel; Perez-Castillo, Royle; White, Alexander; Gibson, Tammie R.; Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Zhang, Yu; Fedik, Nikita; Kulichenko, Maksim; Messerly, Richard; Mohanam, Luke Nambi; Sharifzadeh, Sahar; Bastida, Adolfo; Mukamel, Shaul; Fernandez-Alberti, Sebastian; Tretiak, Sergei
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收藏NWChem: Recent and Ongoing Developments
Mejia-Rodriguez, Daniel; Apra, Edoardo; Autschbach, Jochen; Bauman, Nicholas P.; Bylaska, Eric J.; Govind, Niranjan; Hammond, Jeff R.; Kowalski, Karol; Kunitsa, Alexander; Panyala, Ajay; Peng, Bo; Rehr, John J.; Song, Huajing; Tretiak, Sergei; Valiev, Marat; Vila, Fernando D.
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收藏Efficient removal of bisphenol A by a novel biochar-based Fe/C granule via persulfate activation: Performance, mechanism, and toxicity assessment通过过硫酸盐活化的新型生物炭基Fe/C颗粒有效去除双酚a: 性能,机理和毒性评估
Li, Xiang; Qin, Yang; Song, Huajing; Zou, Wei; Cao, Zhiguo; Ding, Linjie; Pan, Yuwei; Zhou, Minghua
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收藏NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations
Malone, Walter; Nebgen, Benjamin; White, Alexander; Zhang, Yu; Song, Huajing; Bjorgaard, Josiah A.; Sifain, Andrew E.; Rodriguez-Hernandez, Beatriz; Freixas, Victor M.; Fernandez-Alberti, Sebastian; Roitberg, Adrian E.; Nelson, Tammie R.; Tretiak, Sergei
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