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Direct Porphyrin−Aryl Orbital Overlaps in Some meso-Tetraarylporphyrins
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/s002140050247openalex-snapshot
Valence ionization potentials and cation radicals of prototype porphyrins. The remarkable performance of nonlocal density functional theory
inferredcites →https://doi.org/10.1016/0009-2614(80)80549-5openalex-snapshot
The very low ionization potentials of porphyrins and the possible role of rydberg states in photosynthesis
inferredcites →https://doi.org/10.1016/s0166-1280(96)04720-3openalex-snapshot
A comparison of ortho, meta, and para substituent effects in tetraphenylporphyrins: insights into the nature of the porphyrin-phenyl electronic interaction
inferredcites →https://doi.org/10.1021/ar950033xopenalex-snapshot
First-Principles Quantum Chemical Studies of Porphyrins
inferredcites →https://doi.org/10.1021/ic9608354openalex-snapshot
Evidence for Porphyrin (π)−Chlorine (p) Orbital Overlap in the π-Cation Radicals of Zinc(II) and Magnesium(II) Tetrakis(o-dichlorophenyl)porphyrin
inferredcites →https://doi.org/10.1021/ja00121a025openalex-snapshot
Substituent Effects on Valence Ionization Potentials of Free Base Porphyrins: A Local Density Functional Study
inferredcites →https://doi.org/10.1021/ja971678qopenalex-snapshot
Effects of Orbital Ordering on Electronic Communication in Multiporphyrin Arrays
inferredcites →https://doi.org/10.1103/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.48.4978.2openalex-snapshot
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1139/p80-159openalex-snapshot
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4689530openalex-extracted
Exploring the Effect of Tetraphenyl Porphyrin Chemical Structure on the Performance of Polymer-Based Pressure-Sensitive Paints
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Theoretical modeling of the heme group with a hybrid QM/MM method
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Ground and Excited State Electronic Properties of Halogenated Tetraarylporphyrins: Tuning the Building Blocks for Porphyrin-based Photonic Devices
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Oxophlorin and Metallooxophlorin Radicals—DFT Studies
inferred← citeshttps://doi.org/10.1002/chem.201501254openalex-snapshot
Synthesis and Atropisomerism of Cascaded Tetraphenylporphyrin–[60]Fullerene Hybrids
inferred← citeshttps://doi.org/10.1002/ejic.200800192openalex-snapshot
Reactivity of Cationic Lanthanide(III) Monoporphyrinates towards Anionic Cyanometallates – Preparation, Crystal Structure, and Luminescence Properties of Cyanido‐Bridged Di‐ and Trinuclear d–f Complexes
inferred← citeshttps://doi.org/10.1002/jpp.347openalex-snapshot
A transient form of 2-aza-21-carbaporphyrin prearranged for fusion: DFT studies
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Substituent effects on geometric and electronic properties of iron tetraphenylporphyrin: a DFT investigation
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Electronic effects of the substituent on the dioxygen-activating abilities of substituted iron tetraphenylporphyrins: a theoretical study
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A DFT study of asymmetric meso-substituted porphyrins and their zinc complexes
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The role of the heme propionates in heme biochemistry
inferred← citeshttps://doi.org/10.1016/j.saa.2016.06.020openalex-snapshot
Synthesis, characterization and fluorescence turn-on behavior of new porphyrin analogue: meta -benziporphodimethenes
inferred← citeshttps://doi.org/10.1016/s0009-2614(01)01457-9openalex-snapshot
The role of frontier molecular orbital ordering on electronic communication in porphyrin arrays
inferred← citeshttps://doi.org/10.1016/s0020-1693(02)00819-8openalex-snapshot
Electronic effects of para-substituents on the electron configuration of dicyano[meso-tetrakis(p-substituted phenyl)porphyrinato]iron(III) complexes
inferred← citeshttps://doi.org/10.1016/s0020-1693(02)01130-1openalex-snapshot
19F Isotropic shifts in paramagnetic iron(III) octaethyltetraphenylporphyrinate and tetraphenylporphyrinate complexes of a variety of electronic ground states: implications for the electron configuration of chloroiron tri-(pentafluorophenyl)corrolate
inferred← citeshttps://doi.org/10.1016/s0166-1280(99)00063-9openalex-snapshot
Geometry and tautomerism of sapphyrin—DFT studies
inferred← citeshttps://doi.org/10.1021/acsomega.2c05074openalex-snapshot
Twist-Bent Bonds Revisited: Adiabatic Ionization Potentials Demystify Enhanced Reactivity
inferred← citeshttps://doi.org/10.1021/acsorginorgau.3c00041openalex-snapshot
From Diaminosilylenes to Silapyramidanes: Making Sense of the Stability of Divalent Silicon Compounds
inferred← citeshttps://doi.org/10.1021/acsphyschemau.1c00030openalex-snapshot
Comparing Isoelectronic, Quadruple-Bonded Metalloporphyrin and Metallocorrole Dimers: Scalar-Relativistic DFT Calculations Predict a >1 eV Range for Ionization Potential and Electron Affinity
inferred← citeshttps://doi.org/10.1021/cr020634jopenalex-snapshot
Models of the Bis-Histidine-Ligated Electron-Transferring Cytochromes. Comparative Geometric and Electronic Structure of Low-Spin Ferro- and Ferrihemes
inferred← citeshttps://doi.org/10.1021/ic302401mopenalex-snapshot
Molecular Recognition Using Ruthenium(II) Porphyrin Thiol Complexes as Probes
inferred← citeshttps://doi.org/10.1021/ic980989eopenalex-snapshot
Significant Electronic Effect of Porphyrin Ligand on the Reactivities of High-Valent Iron(IV) Oxo Porphyrin Cation Radical Complexes
inferred← citeshttps://doi.org/10.1021/ic9907866openalex-snapshot
Electronic Effects in Transition Metal Porphyrins. 10. Effect of Ortho Substituents on the Temperature Dependence of the NMR Spectra of a Series of Spin-Admixed Perchloratoiron(III) Tetrakis(2,6- or 2,4,6-phenyl substituted)porphyrinates
inferred← citeshttps://doi.org/10.1021/ic9910514openalex-snapshot
Redox Reactivity and Reorganization Energy of Zinc Cytochrome c Cation Radical
inferred← citeshttps://doi.org/10.1021/ja003004copenalex-snapshot
Porphodimethene−Porphyrin Interconversion: A Tetrapyrrolic Redox-Switchable Macrocycle
inferred← citeshttps://doi.org/10.1021/jp205110jopenalex-snapshot
Comparison of the Photophysical Properties of a Planar, PtOEP, and a Nonplanar, PtOETPP, Porphyrin in Solution and Doped Films
inferred← citeshttps://doi.org/10.1021/jp983010jopenalex-snapshot
Molecular Structures, Tautomerism, and Carbon Nucleophilicity of Free-Base Inverted Porphyrins and Carbaporphyrins: A Density Functional Theoretical Study
inferred← citeshttps://doi.org/10.1023/a:1014428204834openalex-snapshot
Thiaporphyrin with an Inverted Thiophene Ring – DFT Studies
inferred← citeshttps://doi.org/10.1039/b410600hopenalex-snapshot
Reactivity of aqua coordinated monoporphyrinate lanthanide complexes: synthetic, structural and photoluminescent studies of lanthanide porphyrinate dimers
inferred← citeshttps://doi.org/10.1039/b716517jopenalex-snapshot
Redox modulation of oxidative stress by Mn porphyrin-based therapeutics: The effect of charge distribution
inferred← citeshttps://doi.org/10.1039/c4cc01938eopenalex-snapshot
A distinct reversible colorimetric and fluorescent low pH response on a water-stable zirconium–porphyrin metal–organic framework
inferred← citeshttps://doi.org/10.1134/1.1628717openalex-snapshot
The influence of electronic and structural factors on the photoinduced electron transfer in sterically strained meso-nitrophenyl-substituted porphyrins
inferred← citeshttps://doi.org/10.1134/1.1690028openalex-snapshot
Picosecond dynamics of photoinduced electron transfer involving singlet and triplet states in nitroporphyrin molecules
inferred← citeshttps://doi.org/10.1166/sam.2022.4236openalex-snapshot
Synthesis and Characterization of Supramolecular Nanotubes of Tetraphenylethylene-Porphyrin Conjugates
inferred← citeshttps://doi.org/10.1557/proc-597-325openalex-snapshot
A Study Towards the Design of Materials for Nonlinear Optical Applications Using First Principle Calculations
inferred← citeshttps://doi.org/10.1560/2yqb-q2br-uk2l-aadjopenalex-snapshot
Theoretical studies on high‐valent manganese porphyrins: Toward a deeper understanding of the energetics, electron distributions, and structural features of the reactive intermediates of enzymatic and synthetic manganese‐catalyzed oxidative processes
inferred← citeshttps://doi.org/10.2174/1874383801105010001openalex-snapshot
Substituent Effects of Porphyrin on Singlet Oxygen Generation Quantum Yields
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