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Frontiers in Chemistry|November 30, 2020
Theoretical Design of Dithienopicenocarbazole-Based Molecules by Molecular Engineering of Terminal Units Toward Promising Non-fullerene AcceptorsJie Feng, Hongshuai Wang, Nopporn Rujisamphan, et al.Frontiers in Chemistry|November 30, 2020
TAO-DFT-Based Ab Initio Molecular DynamicsShaozhi Li, Jeng-Da ChaiFrontiers in Chemistry|November 30, 2020
Realization of Opened and Closed Nodal Lines and Four- and Three-fold Degenerate Nodal Points in XPt (X = Sc, Y, La) Intermetallic Compound: A Computational Modeling StudyHeju XuFrontiers in Chemistry|January 11, 2021
Density Functional Prediction of Quasiparticle, Excitation, and Resonance Energies of Molecules With a Global Scaling Correction ApproachXiaolong Yang, Xiao Zheng, Weitao YangFrontiers in Chemistry|January 11, 2021
Plasmonic Hot-Electron Reactive Oxygen Species Generation: Fundamentals for Redox BiologyElisa Carrasco, Juan Carlos Stockert, Ángeles Juarranz, et al.Frontiers in Chemistry|January 11, 2021
The Role of Norrish Type-I Chemistry in Photoactive Drugs: An ab initio Study of a Cyclopropenone-Enediyne Drug PrecursorSpencer J Léger, Barbara Marchetti, Michael N R Ashfold, et al.Frontiers in Chemistry|January 11, 2021
Machine Learning in Computational Surface Science and Catalysis: Case Studies on Water and Metal-Oxide InterfacesXiaoke Li, Wolfgang Paier, Joachim PaierFrontiers in Chemistry|January 11, 2021
A Review of the Antimalarial, Antitrypanosomal, and Antileishmanial Activities of Natural Compounds Isolated From Nigerian FloraMarzuq A Ungogo, Godwin U Ebiloma, Nahandoo Ichoron, et al.Frontiers in Chemistry|January 1, 2021
Spherical Li4Ti5O12/NiO Composite With Enhanced Capacity and Rate Performance as Anode Material for Lithium-Ion BatteriesJiequn Liu, Shengkui Zhong, Qingrong Chen, et al.Frontiers in Chemistry|December 28, 2020
Natural Clinopyroxene Reference Materials for in situ Sr Isotopic Analysis via LA-MC-ICP-MSHan Zhao, Xin-Miao Zhao, P J Le Roux, et al.Pageof 783