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The Journal of Physical Chemistry Letters|October 25, 2021
Identifying and Passivating Killer Defects in Pb-Free Double Cs<sub>2</sub>AgBiBr<sub>6</sub> PerovskiteYalan She, Zhufeng Hou, Oleg V Prezhdo, et al.The Journal of Physical Chemistry Letters|June 25, 2021
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Artificial Neural NetworksBipeng Wang, Weibin Chu, Alexandre Tkatchenko, et al.The Journal of Chemical Physics|July 23, 2004
Electron-nuclear correlations for photo-induced dynamics in molecular dimersDmitri S Kilin, Yuri V Pereversev, Oleg V PrezhdoPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|June 13, 2009
Allosteric role of the large-scale domain opening in biological catch-bindingYuriy V Pereverzev, Oleg V Prezhdo, Evgeni V SokurenkoThe Journal of Physical Chemistry Letters|November 25, 2025
Exohedral Complexes of Lanthanide Atoms with the C<sub>60</sub> Fullerene Cage: Hexagonal versus Pentagonal Ring CoordinationVladimir A Basiuk, Oleg V Prezhdo, Elena V BasiukChemistry of Materials : a Publication of the American Chemical Society|March 3, 2025
Boron Phosphide Nanotubes for Electrocatalytic CO Reduction to Multicarbon ProductsXiaodong Yan, Wugang Wang, Oleg V Prezhdo, et al.Journal of the American Chemical Society|May 26, 2005
Ab initio nonadiabatic molecular dynamics of the ultrafast electron injection across the alizarin-TiO2 interfaceWalter R Duncan, William M Stier, Oleg V PrezhdoPhysical Review Letters|May 23, 2006
Time-domain ab initio simulation of electron and hole relaxation dynamics in a single-wall semiconducting carbon nanotubeBradley F Habenicht, Colleen F Craig, Oleg V PrezhdoThe Journal of Physical Chemistry Letters|January 20, 2023
Passivation of Hematite by a Semiconducting Overlayer Reduces Charge Recombination: An Insight from Nonadiabatic Molecular DynamicsHua Wang, Zhaohui Zhou, Run Long, et al.The Journal of Physical Chemistry Letters|December 31, 2020
Point Defects in Two-Dimensional γ-Phosphorus CarbideAndrey A Kistanov, Vladimir R Nikitenko, Oleg V PrezhdoPageof 56