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High-level analytical potential-energy-surface-based dynamics of the OH− + CH3CH2Cl SN2 and E2 reactions in full (24) dimensions
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DOI: 10.1039/D3FD00161J

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DOI: 10.1039/D3FD00164D

Automated potential energy surface development and quasi-classical dynamics for the F− + SiH3I system
Balázs J. Molnár, Attila Á. Dékány and Gábor Czakó
The Journal of Chemical Physics, 2024, 161
DOI: 10.1063/5.0238366

The Investigation on the Reactivity and the Formation of Halogen Bond Complexes for the Reactions of α-Nucleophiles XO– (X = F, *Cl, Br, I) and CH3CH2Cl
Gang Fu, Wenqing Zhen, Hongyi Wang, Li Yang and Jiaxu Zhang
J. Phys. Chem. A, 2024, 128, 10746
DOI: 10.1021/acs.jpca.4c04190

Competition between SN2 and E2 Pathways in CN– + RI/RF Systems: Effects of Reactive Centers, Substitution, and Leaving Groups
Xu Liu, Mingyu Jia, Shiqi Tian, Hui Li, Boxue Pang and Yang Wu
J. Phys. Chem. A, 2025, 129, 9851
DOI: 10.1021/acs.jpca.5c01919

Ion molecule reaction dynamics for disentangling competing reactive pathways
Marcel Meta and Jennifer Meyer
Molecular Physics, 2024, 122
DOI: 10.1080/00268976.2023.2293228

Benchmark Ab Initio Mapping of the F– + CH2ClI SN2 and Proton-Abstraction Reactions
Domonkos A. Tasi, Erik M. Orján and Gábor Czakó
J. Phys. Chem. A, 2024, 128, 10568
DOI: 10.1021/acs.jpca.4c06716

Dynamics of sterically hindered F− + i-C3H7Cl reaction: An enhancement of indirect mechanisms
Wenqing Zhen, Gang Fu, Li Yang, Hongyi Wang, Li Sheng, Jianmin Sun and Jiaxu Zhang
The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0258329