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XPS and quantum chemical analysis of 4Me-BODIPY derivatives

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jcc.540141112openalex-snapshot
General atomic and molecular electronic structure system
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Application of DFT for the modeling of the valence region photoelectron spectra of boron and d‐element complexes and macromolecules
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Q‐Chem: an engine for innovation
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Turbomole
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Double‐hybrid density functionals
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The ORCA program system
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Multiconfiguration second‐order perturbation theory approach to strong electron correlation in chemistry and photochemistry
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Photoelectron Spectroscopy
inferredcites →https://doi.org/10.1007/978-3-662-11900-6openalex-snapshot
Green’s Functions in Quantum Physics
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Comparison of solvent reaction field representations
inferredcites →https://doi.org/10.1016/0009-2614(94)00070-0openalex-snapshot
A doubles correction to electronic excited states from configuration interaction in the space of single substitutions
inferredcites →https://doi.org/10.1016/0092-640x(85)90016-6openalex-snapshot
Atomic subshell photoionization cross sections and asymmetry parameters: 1 ⩽ Z ⩽ 103
inferredcites →https://doi.org/10.1016/0167-7977(84)90002-9openalex-snapshot
Computational methods for the one-particle green's function
inferredcites →https://doi.org/10.1016/bs.aiq.2016.05.001openalex-snapshot
Electron Propagator Theory
inferredcites →https://doi.org/10.1016/j.carres.2021.108249openalex-snapshot
Development of BODIPY labelled sialic acids as sialyltransferase substrates for direct detection of terminal galactose on N- and O-linked glycans
inferredcites →https://doi.org/10.1016/j.ccr.2022.214684openalex-snapshot
Basic structural modifications for improving the practical properties of BODIPY
inferredcites →https://doi.org/10.1016/j.comptc.2021.113531openalex-snapshot
Can time-dependent double hybrid density functionals accurately predict electronic excitation energies of BODIPY compounds?
inferredcites →https://doi.org/10.1016/j.comptc.2022.113719openalex-snapshot
Molecular and electronic structure of substituted BODIPY dyes: Quantum chemical study
inferredcites →https://doi.org/10.1016/j.cplett.2004.06.011openalex-snapshot
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
inferredcites →https://doi.org/10.1016/j.cplett.2010.11.060openalex-snapshot
Applications and validations of the Minnesota density functionals
inferredcites →https://doi.org/10.1016/j.dyepig.2009.03.001openalex-snapshot
The synthesis and crystal structure of unsubstituted 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY)
inferredcites →https://doi.org/10.1016/j.dyepig.2018.03.022openalex-snapshot
Searching for new borondifluoride β -diketonate complexes with enhanced absorption/emission properties using ab initio tools
inferredcites →https://doi.org/10.1016/j.dyepig.2021.109158openalex-snapshot
Imaging of intracellular singlet oxygen with bright BODIPY dyes
inferredcites →https://doi.org/10.1016/j.jlumin.2017.11.025openalex-snapshot
Electronic structure and optical properties of boron difluoride naphthaloyl- and anthracenoylacetonates
inferredcites →https://doi.org/10.1016/j.jms.2015.03.002openalex-snapshot
A study of the excited electronic states of normal and fully deuterated furan by photoabsorption spectroscopy and high-level ab initio calculations
inferredcites →https://doi.org/10.1016/j.molliq.2019.01.049openalex-snapshot
Photonics of boron(III) and zinc(II) dipyrromethenates as active media for modern optical devices
inferredcites →https://doi.org/10.1016/j.molliq.2020.112717openalex-snapshot
The influence of alkylation on the photophysical properties of BODIPYs and their labeling in blood plasma proteins
inferredcites →https://doi.org/10.1016/j.molliq.2021.116416openalex-snapshot
Effect of polar protic solvents on the photophysical properties of bis(BODIPY) dyes
inferredcites →https://doi.org/10.1016/j.molliq.2021.117031openalex-snapshot
Water-Soluble BODIPY-Based fluorescent probe for BSA and HSA detection
inferredcites →https://doi.org/10.1016/j.saa.2013.08.042openalex-snapshot
The computational and experimental investigations of photophysical and spectroscopic properties of BF2 dipyrromethene complexes
inferredcites →https://doi.org/10.1016/j.saa.2015.03.112openalex-snapshot
Excited states and absorption spectra of 2-β-diketonato-1,3,2-benzodioxaborol with aromatic substituents: Quantum-chemistry modeling
inferredcites →https://doi.org/10.1016/j.saa.2015.07.064openalex-snapshot
Fluorescent difluoroboron-curcumin analogs: An investigation of the electronic structures and photophysical properties
inferredcites →https://doi.org/10.1016/j.saa.2019.02.002openalex-snapshot
Spectroscopic and quantum chemical study of difluoroboron β-diketonate luminophores: Isomeric acetylnaphtholate chelates
inferredcites →https://doi.org/10.1016/j.saa.2020.118441openalex-snapshot
Photoelectron spectra and electronic structure of boron diacetate formazanates
inferredcites →https://doi.org/10.1016/j.snb.2020.129396openalex-snapshot
A water caged BODIPY as fluorescence sensor of phthalates
inferredcites →https://doi.org/10.1016/s0065-3276(05)50003-0openalex-snapshot
Structure Optimizations for Excited States with Correlated Second-Order Methods: CC2 and ADC(2)
inferredcites →https://doi.org/10.1016/s0368-2048(02)00032-4openalex-snapshot
Kohn–Sham orbitals and orbital energies: fictitious constructs but good approximations all the same
inferredcites →https://doi.org/10.1021/acs.jctc.5b00105openalex-snapshot
The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson–Crick Pairs
inferredcites →https://doi.org/10.1021/acs.jctc.9b00559openalex-snapshot
Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method
inferredcites →https://doi.org/10.1021/acs.jpca.6b11131openalex-snapshot
Thermally-Activated, Delayed Fluorescence in O,B,O- and N,B,O-Strapped Boron Dipyrromethene Derivatives
inferredcites →https://doi.org/10.1021/acs.jpclett.7b00774openalex-snapshot
Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated?
inferredcites →https://doi.org/10.1021/cr078381nopenalex-snapshot
BODIPY Dyes and Their Derivatives: Syntheses and Spectroscopic Properties
inferredcites →https://doi.org/10.1021/ct400450kopenalex-snapshot
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects
inferredcites →https://doi.org/10.1021/ct500775ropenalex-snapshot
Why Do TD-DFT Excitation Energies of BODIPY/Aza-BODIPY Families Largely Deviate from Experiment? Answers from Electron Correlated and Multireference Methods
inferredcites →https://doi.org/10.1021/ct8004744openalex-snapshot
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
inferredcites →https://doi.org/10.1021/ct9006772openalex-snapshot
General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra
inferredcites →https://doi.org/10.1021/jo901014wopenalex-snapshot
The Smallest and One of the Brightest. Efficient Preparation and Optical Description of the Parent Borondipyrromethene System
inferredcites →https://doi.org/10.1021/jp508718dopenalex-snapshot
Solvatochromism of BODIPY-Schiff Dye
inferredcites →https://doi.org/10.1021/jz5022087openalex-snapshot
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds
inferredcites →https://doi.org/10.1039/b508541aopenalex-snapshot
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
inferredcites →https://doi.org/10.1039/b517914aopenalex-snapshot
Advances in methods and algorithms in a modern quantum chemistry program package
inferredcites →https://doi.org/10.1039/c1cc13367eopenalex-snapshot
Rational design of boron dipyrromethene (BODIPY)-based photobleaching-resistant fluorophores applicable to a protein dynamics study
inferredcites →https://doi.org/10.1039/c1cs15132kopenalex-snapshot
Fluorescent indicators based on BODIPY
inferredcites →https://doi.org/10.1039/c4cp02420fopenalex-snapshot
Excited electronic states of thiophene: high resolution photoabsorption Fourier transform spectroscopy and ab initio calculations
inferredcites →https://doi.org/10.1039/d1cp05730hopenalex-snapshot
Generation of multiple triplet states in an orthogonal bodipy dimer: a breakthrough spectroscopic and theoretical approach
inferredcites →https://doi.org/10.1039/d2cc02016eopenalex-snapshot
Chalcogen-based ratiometric reversible BODIPY redox sensors for the determination of enantioselective methionine sulfoxide reductase activity
inferredcites →https://doi.org/10.1063/1.1504708openalex-snapshot
Electron excitation energies using a consistent third-order propagator approach: Comparison with full configuration interaction and coupled cluster results
inferredcites →https://doi.org/10.1063/1.2203068openalex-snapshot
New formulation and implementation for volume polarization in dielectric continuum theory
inferredcites →https://doi.org/10.1063/1.2834918openalex-snapshot
Systematic optimization of long-range corrected hybrid density functionals
inferredcites →https://doi.org/10.1063/1.3269030openalex-snapshot
Koopmans’ springs to life
inferredcites →https://doi.org/10.1063/1.456153openalex-snapshot
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
inferredcites →https://doi.org/10.1063/1.462569openalex-snapshot
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
inferredcites →https://doi.org/10.1063/1.464304openalex-snapshot
A new mixing of Hartree–Fock and local density-functional theories
inferredcites →https://doi.org/10.1063/1.4773581openalex-snapshot
An efficient and near linear scaling pair natural orbital based local coupled cluster method
inferredcites →https://doi.org/10.1063/1.481133openalex-snapshot
Reaction field treatment of charge penetration
inferredcites →https://doi.org/10.1063/1.4819071openalex-snapshot
A pair natural orbital implementation of the coupled cluster model CC2 for excitation energies
inferredcites →https://doi.org/10.1063/1.4892418openalex-snapshot
The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: Efficient implementation and benchmarking
inferredcites →https://doi.org/10.1088/0953-8984/20/6/064201openalex-snapshot
Hybrid functionals applied to extended systems
inferredcites →https://doi.org/10.1088/1742-6596/1172/1/012013openalex-snapshot
Photoelectron spectra and electronic structure of acetylacetonate and bromoacetylacetonate of boron difluoride
inferredcites →https://doi.org/10.1103/physreva.28.1237openalex-snapshot
New approach to the one-particle Green's function for finite Fermi systems
inferredcites →https://doi.org/10.1103/physreva.50.4707openalex-snapshot
Assessment of Kohn-Sham density-functional orbitals as approximate Dyson orbitals for the calculation of electron-momentum-spectroscopy scattering cross sections
inferredcites →https://doi.org/10.1103/physreva.75.022513openalex-snapshot
Critique of the foundations of time-dependent density-functional theory
inferredcites →https://doi.org/10.1103/physreva.78.056502openalex-snapshot
Reply to “Comment on ‘Critique of the foundations of time-dependent density-functional theory’ ”
inferredcites →https://doi.org/10.1103/revmodphys.36.844openalex-snapshot
Time-Dependent Hartree—Fock Theory for Molecules
inferredcites →https://doi.org/10.1126/science.aah5975openalex-snapshot
Density functional theory is straying from the path toward the exact functional
inferredcites →https://doi.org/10.1134/1.1643984openalex-snapshot
Photoelectron spectroscopy of molecular systems and quantum-chemical calculations in terms of the density functional theory: Iron π complexes L-Fe(CO)3
inferredcites →https://doi.org/10.1134/1.1890510openalex-snapshot
Photoelectron spectroscopy of irontricarbonyl complexes of vinylnaphthalenes: Quantum-chemical calculations by the density functional method
inferredcites →https://doi.org/10.1134/s0022476616010042openalex-snapshot
A quantum chemical study of the molecular structure of zinc(II) and boron(II) complexes with monoiodo and dibromo substituted dipyrrines
inferredcites →https://doi.org/10.1146/annurev-physchem-032511-143803openalex-snapshot
Progress in Time-Dependent Density-Functional Theory
inferredcites →https://doi.org/10.3390/app12157815openalex-snapshot
BODIPY-Based Nanomaterials—Sensing and Biomedical Applications
inferredcites →https://doi.org/10.3390/inorganics5020021openalex-snapshot
Photophysics of BODIPY Dyes as Readily-Designable Photosensitisers in Light-Driven Proton Reduction
inferredcites →https://doi.org/10.3390/molecules25225361openalex-snapshot
Quantum Chemical Study Aimed at Modeling Efficient Aza-BODIPY NIR Dyes: Molecular and Electronic Structure, Absorption, and Emission Spectra
inferredcites →https://doi.org/10.3390/molecules27041396openalex-snapshot
BODIPY Conjugates as Functional Compounds for Medical Diagnostics and Treatment
inferredcites →https://doi.org/10.3390/molecules27155018openalex-snapshot
Application of meso-CF3-Fluorophore BODIPY with Phenyl and Pyrazolyl Substituents for Lifetime Visualization of Lysosomes

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

inferred← citeshttps://doi.org/10.2139/ssrn.4847628openalex-extracted
The Vibrational Spectra of a Model Boron Dipyrromethene Molecule in Condensed Phase: Experimental and Theoretical Insights
inferred← citeshttps://doi.org/10.1016/j.dyepig.2024.112405openalex-snapshot
The vibrational spectra of a model boron dipyrromethene molecule in condensed phase: Experimental and theoretical insights
inferred← citeshttps://doi.org/10.3389/fchem.2026.1849599openalex-snapshot
Sensing of human stress biomarkers using BODIPY-functionalized carbon nanoparticles
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