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X-ray photoelectron and NEXAFS spectroscopy of thionated uracils in the gas phase

https://doi.org/10.1063/5.0226983
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Structure and Function of Noncanonical Nucleobases
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A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils
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Calculating core‐level excitations and x‐ray absorption spectra of medium‐sized closed‐shell molecules with the algebraic‐diagrammatic construction scheme for the polarization propagator
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Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F
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An evaluation of the performance of diffuse function‐augmented basis sets for second row elements, Na‐Cl
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Ultraviolet absorption, circular dichroism and magnetic circular dichroism studies of sulfur-containing nucleic acid bases and their nucleosides
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The tautomeric equilibria of thioanalogues of nucleic acids: spectroscopic studies of 2-thiouracils in the vapour phase and in low temperature matrices
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Shake-up satellites in X-ray photoelectron spectroscopy
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A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine
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Photoelectron spectroscopy of sulfur L levels in the SF5CF3 molecule
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Intersystem crossing dynamics in singly substituted thiouracil studied by time-resolved photoelectron spectroscopy: Micro-environmental effects due to sulfur position
inferredcites →https://doi.org/10.1016/j.chemphys.2022.111500openalex-snapshot
Experimental and theoretical gas-phase absorption spectra of thionated uracils
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2-Thiouracil deactivation pathways and triplet states population
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Lifetime broadening of core-excited and -ionized states
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Calibration of oxygen 1s ionization energies. Accurate energies for CO2, H2O, CO, and O2
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Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
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Time-Resolved Optical Pump-Resonant X-ray Probe Spectroscopy of 4-Thiouracil: A Simulation Study
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New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States
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A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-Thiouracil
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Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoabsorption Synchrotron Spectroscopies
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Evidence for a Double Well in the First Triplet Excited State of 2-Thiouracil
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Equation-of-Motion Coupled-Cluster Theory to Model L‑Edge X‑ray Absorption and Photoelectron Spectra
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Calculating X-ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator
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Revised Mulliken electronegativities: I. Calculation and conversion to Pauling units
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The Ultraviolet Absorption Spectra of Thiouracils1
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Double Thionated Pyrimidine Nucleobases: Molecular Tools with Tunable Photoproperties
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Observation of the Sub-100 Femtosecond Population of a Dark State in a Thiobase Mediating Intersystem Crossing
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Electronic Transitions of Thiouracils in the Gas Phase and in Solutions: Time-Dependent Density Functional Theory (TD-DFT) Study
inferredcites →https://doi.org/10.1021/jp049358yopenalex-snapshot
Multiconfigurational Self-Consistent Field Study of the Excited State Properties of 4-Thiouracil in the Gas Phase
inferredcites →https://doi.org/10.1021/jp051940eopenalex-snapshot
UV-Induced Generation of Rare Tautomers of 2-Thiouracils: A Matrix Isolation Study
inferredcites →https://doi.org/10.1021/jp105062copenalex-snapshot
Tautomerism in Cytosine and Uracil: A Theoretical and Experimental X-ray Absorption and Resonant Auger Study
inferredcites →https://doi.org/10.1021/jp106883sopenalex-snapshot
Tautomerism in 4-Hydroxypyrimidine, S-Methyl-2-thiouracil, and 2-Thiouracil
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Photophysical and Photochemical Properties of 4-Thiouracil: Time-Resolved IR Spectroscopy and DFT Studies
inferredcites →https://doi.org/10.1021/jp900998aopenalex-snapshot
Tautomerism in Cytosine and Uracil: An Experimental and Theoretical Core Level Spectroscopic Study
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Direct observation of electron dynamics in the attosecond domain
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Ultrafast X-ray Auger probing of photoexcited molecular dynamics
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Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption
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Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy
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Internal conversion and intersystem crossing pathways in UV excited, isolated uracils and their implications in prebiotic chemistry
inferredcites →https://doi.org/10.1039/c7cp02258aopenalex-snapshot
2-Thiouracil intersystem crossing photodynamics studied by wavelength-dependent photoelectron and transient absorption spectroscopies
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Internal conversion and intersystem crossing dynamics of uracil upon double thionation: a time-resolved photoelectron spectroscopy study in the gas phase
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Natural transition orbitals
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Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
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Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18
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Inner shell excitation of thiophene and thiolane: Gas, solid, and monolayer states
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Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations
inferredcites →https://doi.org/10.1063/1.4941948openalex-snapshot
Photoelectron spectra of 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil
inferredcites →https://doi.org/10.1063/1.5006875openalex-snapshot
S2p core level spectroscopy of short chain oligothiophenes
inferredcites →https://doi.org/10.1063/1.5034419openalex-snapshot
Ultraviolet relaxation dynamics in uracil: Time-resolved photoion yield studies using a laser-based thermal desorption source
inferredcites →https://doi.org/10.1063/1.5108762openalex-snapshot
General framework for calculating spin–orbit couplings using spinless one-particle density matrices: Theory and application to the equation-of-motion coupled-cluster wave functions
inferredcites →https://doi.org/10.1063/5.0055522openalex-snapshot
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
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Binding Energies and Chemical Shifts in ESCA
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Ultrafast dynamics of 2-thiouracil investigated by time-resolved Auger spectroscopy
inferredcites →https://doi.org/10.1088/1361-6455/ac3c91openalex-snapshot
Data analysis procedures for time-resolved x-ray photoelectron spectroscopy at a SASE free-electron-laser
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Photochemical and Photodynamical Properties of Sulfur‐Substituted Nucleic Acid Bases,
inferredcites →https://doi.org/10.1111/php.13903openalex-snapshot
Time‐resolved x‐ray spectroscopy of nucleobases and their thionated analogs
inferredcites →https://doi.org/10.1126/science.1135428openalex-snapshot
Thymine Dimerization in DNA Is an Ultrafast Photoreaction
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Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments
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Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser
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Ultrafast Photo-Ion Probing of the Relaxation Dynamics in 2-Thiouracil

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Direct Observation of the ππ* to nπ* Transition in 2-Thiouracil via Time-Resolved NEXAFS Spectroscopy
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