Nonadiabatic Dynamics of Uracil in Aqueous Solution from QM/MM in Periodic Boundary Conditions Combined with Mixed-Reference Spin-Flip TDDFT.
- DOI
- 10.1021/acs.jctc.6c01045
- Published
- 2026 Sep 8
- Container
- Journal of chemical theory and computation
- Publisher
- Not recorded
- Open access
- no
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jctc.6c01045,
title = {Nonadiabatic Dynamics of Uracil in Aqueous Solution from QM/MM in Periodic Boundary Conditions Combined with Mixed-Reference Spin-Flip TDDFT.},
author = {Bonfrate S and Park W and Mazaherifar M and Ferré N and Choi CH and Huix-Rotllant M},
year = {2026},
journal = {Journal of chemical theory and computation},
doi = {10.1021/acs.jctc.6c01045},
url = {https://doi.org/10.1021/acs.jctc.6c01045}
}RIS
TY - JOUR TI - Nonadiabatic Dynamics of Uracil in Aqueous Solution from QM/MM in Periodic Boundary Conditions Combined with Mixed-Reference Spin-Flip TDDFT. AU - Bonfrate S AU - Park W AU - Mazaherifar M AU - Ferré N AU - Choi CH AU - Huix-Rotllant M PY - 2026 JO - Journal of chemical theory and computation DO - 10.1021/acs.jctc.6c01045 UR - https://doi.org/10.1021/acs.jctc.6c01045 ER -
APA
S, B., W, P., M, M., N, F., CH, C., & M, H. (2026). Nonadiabatic Dynamics of Uracil in Aqueous Solution from QM/MM in Periodic Boundary Conditions Combined with Mixed-Reference Spin-Flip TDDFT.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c01045
Source records
- pubmed · retrieved 2026-09-26T09:39:10.889Z
- europe-pmc · retrieved 2026-09-26T09:39:10.897Z
- hal · retrieved 2026-09-26T09:39:10.917Z