The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Ab Initio Molecular Dynamics and Time-Resolved Photoelectron Spectroscopy of Electronically Excited Uracil and Thymine
Open accessAbstract
The reaction dynamics of excited electronic states in nucleic acid bases is a key process in DNA photodamage. Recent ultrafast spectroscopy experiments have shown multicomponent decays of excited uracil and thymine, tentatively assigned to nonadiabatic transitions involving multiple electronic states. Using both quantum chemistry and first principles quantum molecular dynamics methods we show that a true minimum on the bright S2 electronic state is responsible for the first step that occurs on a femtosecond time scale. Thus the observed femtosecond decay does not correspond to surface crossing as previously thought. We suggest that subsequent barrier crossing to the minimal energy S2/S1 conical intersection is responsible for the picosecond decay.
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Citations
Cites
Thymine Dimerization in DNA Is an Ultrafast Photoreaction
Schreier, W. J., Schrader, T. E., Koller, F. O., Gilch, P., Crespo-Hernández, C. E., Swaminathan, V. N., Carell, T., Zinth, W., & Kohler, B. (2007) · Science · doi:10.1126/science.1135428 · Cited by 550
Base stacking controls excited-state dynamics in A·T DNA
Crespo-Hernández, C. E., Cohen, B., & Kohler, B. (2005) · Nature · doi:10.1038/nature03933 · Cited by 461
Ben-Nun, M., & Martı́nez, T. J. (1998) · The Journal of Chemical Physics · doi:10.1063/1.476142 · Cited by 399
Self-citationIntrinsic Lifetimes of the Excited State of DNA and RNA Bases
Kang, H., Lee, K. T., Jung, B., Ko, Y. J., & Kim, S. K. (2002) · Journal of the American Chemical Society · doi:10.1021/ja027627x · Cited by 375
Cited by
DNA Excited-State Dynamics: From Single Bases to the Double Helix
Middleton, C. T., de La Harpe, K., Su, C., Law, Y. K., Crespo-Hernández, C. E., & Kohler, B. (2009) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.59.032607.093719 · Cited by 827
Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics
Crespo-Otero, R., & Barbatti, M. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00577 · Cited by 733
Improta, R., Santoro, F., & Blancafort, L. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00444 · Cited by 499
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
Barbatti, M., Aquino, A. J. A., Szymczak, J. J., Nachtigallová, D., Hobza, P., & Lischka, H. (2010) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1014982107 · Cited by 444
Progress and Challenges in the Calculation of Electronic Excited States
González, L., Escudero, D., & Serrano‐Andrés, L. (2012) · ChemPhysChem · doi:10.1002/cphc.201100200 · Cited by 429
Metadata
- Authors
- Hudock, H. R., Levine, B. G., Thompson, A. L., Satzger, H., Townsend, D., Gador, N., Ullrich, S., Stolow, A., & Martínez, T. J.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2007-08-01
- Volume
- 111
- Issue
- 34
- Pages
- 8500-8508
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2168051561
- Cited by
- 380
- References
- 4
- FWCI
- 14.95
- Type
- journal article
- Language
- en
- Open access
- green
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