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Journal of Chemical Theory and Computation|December 4, 2023
Interlayer Charge Transport in 2D Lead Halide Perovskites from First PrinciplesWei Li, Samuele Giannini, Claudio Quarti, et al.
Journal of Chemical Information and Modeling|September 11, 2024
Exploring the Global Reaction Coordinate for Retinal Photoisomerization: A Graph Theory-Based Machine Learning ApproachGoran Giudetti, Madhubani Mukherjee, Samprita Nandi, et al.
Journal of the American Chemical Society|April 27, 2017
Control of Charge Carriers Trapping and Relaxation in Hematite by Oxygen Vacancy Charge: Ab Initio Non-adiabatic Molecular DynamicsZhaohui Zhou, Jin Liu, Run Long, et al.
The Journal of Physical Chemistry. A|July 2, 2019
Triplet Excitons in Small Helium ClustersParmeet Nijjar, Anna I Krylov, Oleg V Prezhdo, et al.
Nano Letters|March 14, 2018
Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio AnalysisZhaosheng Zhang, Wei-Hai Fang, Marina V Tokina, et al.
Nano Letters|July 4, 2026
Pressure-Tuned Plasmonic Propagation on a Silver NanowireKade Johnson, Shriya Gumber, Luo Li, et al.
The Journal of Physical Chemistry Letters|February 25, 2021
Dynamics of Photoexcited Small Polarons in Transition-Metal OxidesLili Zhang, Weibin Chu, Chuanyu Zhao, et al.
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