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SaveWFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation
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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SaveNEXMD 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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SaveNWChem: 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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SaveEfficient removal of bisphenol A by a novel biochar-based Fe/C granule via persulfate activation: Performance, mechanism, and toxicity assessment
Li, Xiang; Qin, Yang; Song, Huajing; Zou, Wei; Cao, Zhiguo; Ding, Linjie; Pan, Yuwei; Zhou, Minghua
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SaveNEXMD 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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