ArticleThe journal of physical chemistry letters2020
Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics.
Article in The journal of physical chemistry letters, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Setting the Bases of the Photogenotoxicity ofJournal of chemical information and modeling · 2026Article
- The Hidden Routes of DNA Photostability: Charge and Proton Transfer in Excited Cytosine-Guanine Tetramers.The journal of physical chemistry letters · 2026Article
- Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water.Nature communications · 2026Article
- Accurate Prediction of Photoinduced Electron Transfer Timescales with Nonadiabatic Microcanonical Rate Theory.The journal of physical chemistry letters · 2026Article
- Unlocking red-to-near-infrared luminescence via ion-pair assembly in carbodicarbene borenium ions.Nature chemistry · 2026Article
- Velocity Rescaling in Surface Hopping Based on Atomic Contributions to Electronic Transitions.Journal of chemical theory and computation · 2025Article
- Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models.RSC advances · 2023Article
- Unraveling Excited State Dynamics of a Single-Stranded DNA-Assembled Conjugated Polyelectrolyte.The journal of physical chemistry letters · 2023Article
- Surface hopping modeling of charge and energy transfer in active environments.Physical chemistry chemical physics : PCCP · 2023Review
- Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis.Journal of chemical information and modeling · 2023Article
- Colour-tuneable solid-state fluorescence of crystalline powders formed from push-pull substituted 2,5-diphenyl-stilbenes.RSC advances · 2022Article
- Excimer evolution hampers symmetry-broken charge-separated states.Chemical science · 2022Article
- High-Energy Long-Lived Emitting Mixed Excitons in Homopolymeric Adenine-Thymine DNA Duplexes.Molecules (Basel, Switzerland) · 2022Article
- Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models.RSC advances · 2022Article
- Nucleobases thin films deposited on nanostructured transparent conductive electrodes for optoelectronic applications.Scientific reports · 2021Article
- Excited-State Properties and Relaxation Pathways of Selenium-Substituted Guanine Nucleobase in Aqueous Solution and DNA Duplex.The journal of physical chemistry. B · 2021Article
- Stacking Effects on Anthraquinone/DNA Charge-Transfer Electronically Excited States.Molecules (Basel, Switzerland) · 2020Article
- Enhanced Rigidity Changes Ultraviolet Absorption: Effect of a Merocyanine Binder on G-Quadruplex Photophysics.The journal of physical chemistry letters · 2020Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The ultrafast time evolution of a single-stranded adenine DNA is studied using a hybrid multiscale quantum mechanics/molecular mechanics (QM/MM) scheme coupled to nonadiabatic surface hopping dynamics. As a model, we use (dA)
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