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The Journal of Organic Chemistry|July 7, 2025
Developing a Machine Learning Model for Hydrogen Bond Acceptance Based on Natural Bond Orbital DescriptorsDiego Ulysses Melo, Leonardo Martins Carneiro, Mauricio Domingues Coutinho-Neto, et al.
The Journal of Physical Chemistry. B|July 20, 2017
Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF ApproachGustavo T Feliciano, Carlos Sanz-Navarro, Mauricio Domingues Coutinho-Neto, et al.
The Journal of Physical Chemistry. B|October 23, 2023
Synergistic Interaction of Hyperbranched Polyglycerols and Cetyltrimethylammonium Bromide for Oil/Water Interfacial Tension Reduction: A Molecular Dynamics StudyJames Moraes de Almeida, Conny Cerai Ferreira, Lucas Bandeira, et al.
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