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A Phase-Space Electronic Hamiltonian For Vibrational Circular Dichroism.
Duston T, Tao Z, Bian X, Bhati M, Rawlinson J, Littlejohn RG, Pei Z, Shao Y, Subotnik JE. Duston T, et al. Among authors: rawlinson j. J Chem Theory Comput. 2024 Sep 3. doi: 10.1021/acs.jctc.4c00662. Online ahead of print. J Chem Theory Comput. 2024. PMID: 39226223
The parallel-transported (quasi)-diabatic basis.
Littlejohn R, Rawlinson J, Subotnik J. Littlejohn R, et al. Among authors: rawlinson j. J Chem Phys. 2022 Nov 14;157(18):184303. doi: 10.1063/5.0122781. J Chem Phys. 2022. PMID: 36379778
The rovibrational Aharonov-Bohm effect.
Rawlinson JI, Fábri C, Császár AG. Rawlinson JI, et al. Phys Chem Chem Phys. 2021 Nov 3;23(42):24154-24164. doi: 10.1039/d1cp03358a. Phys Chem Chem Phys. 2021. PMID: 34668001
15 results