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Photochemistry of 2-thiooxazole: a plausible prebiotic precursor to RNA nucleotides
Physical chemistry chemical physics : PCCP, 2022-09, Vol.24 (35), p.2146-21416
2022
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Prebiotic synthesis of dihydrouridine by photoreduction of uridine in formamide
Chemical communications (Cambridge, England), 2024-07, Vol.6 (55), p.781-784
2024
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UV photostability of three 2-aminoazoles with key roles in prebiotic chemistry on the early earth
Chemical communications (Cambridge, England), 2019-08, Vol.55 (7), p.1388-1391
2019
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A prebiotically plausible synthesis of pyrimidine β-ribonucleosides and their phosphate derivatives involving photoanomerization
Nature chemistry, 2017-04, Vol.9 (4), p.303-309
2017
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Photoinduced charge separation and DNA self-repair depend on sequence directionality and stacking pattern
Chemical science (Cambridge), 2024-02, Vol.15 (6), p.2158-2166
2024
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Photoinduced water-chromophore electron transfer causes formation of guanosine photodamage
Physical chemistry chemical physics : PCCP, 2022-04, Vol.24 (14), p.8217-8224
2022
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Photodynamics of alternative DNA base isoguanine
Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (25), p.13474-13485
2019
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Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments
Physical chemistry chemical physics : PCCP, 2016-07, Vol.18 (3), p.247-266
2016
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UV-induced hydrogen transfer in DNA base pairs promoted by dark nπ states
Chemical communications (Cambridge, England), 2020-01, Vol.56 (2), p.21-24
2020
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Water-chromophore electron transfer determines the photochemistry of cytosine and cytidineElectronic supplementary information (ESI) available: A movie showing the molecular mechanism of the EDPT process, vibrational frequencies of the T1 state, assignment of experimental TR-IR peaks, additional PE profiles, geometries of C-, mC- and cytidine-water clusters, vertical excitation energies from the S1 and T1 minima, analysis of the CASVB results and description of the methodology. See DOI: 10.1039/
2017-07
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Photochromic reaction in 3-naphthopyrans studied by vibrational spectroscopy and quantum chemical calculations
Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (22), p.11861-1187
2019
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Ultrafast excited-state dynamics of isocytosineElectronic supplementary information (ESI) available: Including geometrical parameters of selected structures, their relative energies, relevant spin-orbit coupling matrix elements, supplementary potential energy profiles, plots of cumulative populations and population fittings and results of preliminary MR-CISD calculations. See DOI: 10.1039/c6cp01391k
2016-07
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Photostability of oxazoline RNA-precursors in UV-rich prebiotic environmentsElectronic supplementary information (ESI) available: Computational and experimental procedures including methodology, results of irradiation experiments, the corresponding NMR and UV/Vis spectra, compound synthesis and characterization, conformational analysis, characteristics of excited-state stationary points and explicit solvation effects on the excited electronic states. See DOI: 10.1039/c8cc07343k
2018-11
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Electron-driven proton transfer enables nonradiative photodeactivation in microhydrated 2-aminoimidazoleElectronic supplementary information (ESI) available: Key stationary points located in larger cluster with six water molecules; comparison of UV-absorption spectra simulated using KS-DFT and MP2 methods, time evolution of populations of the low-lying states in NAMD simulations and their exponential fit. See DOI: 10.1039/c8fd00086g
2018-12
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Sequential electron transfer governs the UV-induced self-repair of DNA photolesionsElectronic supplementary information (ESI) available: Computational details of the MD simulations, results of calculations performed for the GA-syn conformer, diabatic couplings and Cartesian coordinates of the stationary points. See DOI: 10.1039/c8sc00024g
2018-03
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Molecular Mechanism of Diaminomaleonitrile to Diaminofumaronitrile Photoisomerization: An Intermediate Step in the Prebiotic Formation of Purine Nucleobases
Chemistry : a European journal, 2014-02, Vol.20 (9), p.2515-2521
2014
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Photorelaxation of imidazole and adenine via electron-driven proton transfer along H2O wiresElectronic supplementary information (ESI) available: Including geometrical parameters of selected structures and complete tables with vertical excitation energies. See DOI: 10.1039/c6fd00131a
2016-12
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Theoretical studies of the mechanism of 2-aminooxazole formation under prebiotically plausible conditionsElectronic supplementary information (ESI) available: Including relevant preliminary results as well as illustrations and geometrical parameters of selected structures. See DOI: 10.1039/c3cp50320h
2013-05
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Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purinesElectronic supplementary information (ESI) available: Including plots of the electric dipole moment vectors for relevant states and Cartesian coordinates of the selected stationary point structures. See DOI: 10.1039/c4cp02074j
2014-07
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Non-adiabatic reactions: general discussion
Faraday discussions, 2016-12, Vol.195, p.311-344
2016
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Excited-state hydrogen atom abstraction initiates the photochemistry of β-2′-deoxycytidineElectronic supplementary information (ESI) available: Including relevant preliminary results as well as illustrations and geometrical parameters of selected structures. See DOI: 10.1039/c4sc03761h
2015-02
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New methods: general discussion
Faraday discussions, 2016-12, Vol.195, p.521-556
2016
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