On the public citation graph
New electron delocalization tools to describe the aromaticity in porphyrinoids
0 signed · 229 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19980202)37:1/2<177::aid-anie177>3.0.co;2-hopenalex-snapshot
Global and Local Aromaticity in Porphyrins: An Analysis Based on Molecular Geometries and Nucleus-Independent Chemical Shifts
inferredcites →https://doi.org/10.1002/anie.200454188openalex-snapshot
Aromaticity: The Alternating CC Bond Length Structures of [14]‐, [18]‐, and [22]Annulene
inferredcites →https://doi.org/10.1002/anie.200700555openalex-snapshot
Expanded Porphyrin with a Split Personality: A Hückel–Möbius Aromaticity Switch
inferredcites →https://doi.org/10.1002/anie.200704407openalex-snapshot
Metalation of Expanded Porphyrins: A Chemical Trigger Used To Produce Molecular Twisting and Möbius Aromaticity
inferredcites →https://doi.org/10.1002/anie.201003353openalex-snapshot
Figure Eights, Möbius Bands, and More: Conformation and Aromaticity of Porphyrinoids
inferredcites →https://doi.org/10.1002/anie.201003909openalex-snapshot
Expanded Porphyrins: Intriguing Structures, Electronic Properties, and Reactivities
inferredcites →https://doi.org/10.1002/anie.201007442openalex-snapshot
How Should Aromaticity Be Described in Porphyrinoids?
inferredcites →https://doi.org/10.1002/anie.201101347openalex-snapshot
From Small Carbocyclic Rings to Porphyrins: A Personal Account of 50 Years of Research
inferredcites →https://doi.org/10.1002/anie.201408506openalex-snapshot
PdII Complexes of [44]‐ and [46]Decaphyrins: The Largest Hückel Aromatic and Antiaromatic, and Möbius Aromatic Macrocycles
inferredcites →https://doi.org/10.1002/anie.201600706openalex-snapshot
All‐Metal Antiaromaticity in Sb 4 ‐Type Lanthanocene Anions
inferredcites →https://doi.org/10.1002/anie.201611431openalex-snapshot
The Extension of Baird's Rule to Twisted Heteroannulenes: Aromaticity Reversal of Singly and Doubly Twisted Molecular Systems in the Lowest Triplet State
inferredcites →https://doi.org/10.1002/chem.200500223openalex-snapshot
The Breakdown of the Minimum Polarizability Principle in Vibrational Motions as an Indicator of the Most Aromatic Center
inferredcites →https://doi.org/10.1002/chem.201200511openalex-snapshot
Viability of Möbius Topologies in [26]‐ and [28]Hexaphyrins
inferredcites →https://doi.org/10.1002/chem.201203295openalex-snapshot
Topology Switching in [32]Heptaphyrins Controlled by Solvent, Protonation, and meso Substituents
inferredcites →https://doi.org/10.1002/chem.201402177openalex-snapshot
Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths
inferredcites →https://doi.org/10.1002/chem.201502894openalex-snapshot
Metalated Hexaphyrins: From Understanding to Rational Design
inferredcites →https://doi.org/10.1002/chem.201700179openalex-snapshot
Supramolecular Covalence in Bifurcated Chalcogen Bonding
inferredcites →https://doi.org/10.1002/jcc.10351openalex-snapshot
Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
inferredcites →https://doi.org/10.1002/jcc.20914openalex-snapshot
On the performance of some aromaticity indices: A critical assessment using a test set
inferredcites →https://doi.org/10.1002/jcc.21377openalex-snapshot
A universal scale of aromaticity for π‐organic compounds
inferredcites →https://doi.org/10.1002/jcc.21621openalex-snapshot
Performance of 3D‐space‐based atoms‐in‐molecules methods for electronic delocalization aromaticity indices
inferredcites →https://doi.org/10.1002/jcc.24758openalex-snapshot
A multipolar approach to the interatomic covalent interaction energy
inferredcites →https://doi.org/10.1002/jcc.24805openalex-snapshot
The role of the long‐range exchange corrections in the description of electron delocalization in aromatic species
inferredcites →https://doi.org/10.1002/jcc.25074openalex-snapshot
Relevance of the DFT method to study expanded porphyrins with different topologies
inferredcites →https://doi.org/10.1002/poc.922openalex-snapshot
Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons
inferredcites →https://doi.org/10.1002/slct.201602080openalex-snapshot
Aromaticity, the Hückel 4 n+2 Rule and Magnetic Current
inferredcites →https://doi.org/10.1007/s00214-007-0310-xopenalex-snapshot
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
inferredcites →https://doi.org/10.1016/0166-1280(87)85077-7openalex-snapshot
Ab initio molecular orbital theory
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.theochem.2005.02.020openalex-snapshot
An analysis of the changes in aromaticity and planarity along the reaction path of the simplest Diels–Alder reaction. Exploring the validity of different indicators of aromaticity
inferredcites →https://doi.org/10.1016/j.theochem.2007.01.015openalex-snapshot
Electron delocalization and aromaticity measures within the Hückel molecular orbital method
inferredcites →https://doi.org/10.1016/s0040-4039(01)89474-0openalex-snapshot
Hűckel molecular orbitals of Mőbius-type conformations of annulenes
inferredcites →https://doi.org/10.1016/s0040-4039(01)94175-9openalex-snapshot
Definition of aromaticity basing on the harmonic oscillator model
inferredcites →https://doi.org/10.1021/acs.chemrev.6b00313openalex-snapshot
Control and Switching of Aromaticity in Various All-Aza-Expanded Porphyrins: Spectroscopic and Theoretical Analyses
inferredcites →https://doi.org/10.1021/acs.chemrev.6b00371openalex-snapshot
Chemistry of meso -Aryl-Substituted Expanded Porphyrins: Aromaticity and Molecular Twist
inferredcites →https://doi.org/10.1021/acs.jpca.6b03950openalex-snapshot
Gauge-Origin Independent Calculations of the Anisotropy of the Magnetically Induced Current Densities
inferredcites →https://doi.org/10.1021/acs.jpcc.7b05900openalex-snapshot
Design of Hückel–Möbius Topological Switches with High Nonlinear Optical Properties
inferredcites →https://doi.org/10.1021/acs.jpcc.7b08668openalex-snapshot
Exploring the Relation Between Intramolecular Conjugation and Band Dispersion in One-Dimensional Polymers
inferredcites →https://doi.org/10.1021/cr0300845openalex-snapshot
Energetic Aspects of Cyclic Pi-Electron Delocalization: Evaluation of the Methods of Estimating Aromatic Stabilization Energies
inferredcites →https://doi.org/10.1021/cr030085xopenalex-snapshot
Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches
inferredcites →https://doi.org/10.1021/cr030088+openalex-snapshot
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
inferredcites →https://doi.org/10.1021/cr030092lopenalex-snapshot
Möbius Aromaticity and Delocalization
inferredcites →https://doi.org/10.1021/cr0505425openalex-snapshot
Topology in Chemistry: Designing Möbius Molecules
inferredcites →https://doi.org/10.1021/cr400252hopenalex-snapshot
Aromaticity from the Viewpoint of Molecular Geometry: Application to Planar Systems
inferredcites →https://doi.org/10.1021/ct100034popenalex-snapshot
A Test to Evaluate the Performance of Aromaticity Descriptors in All-Metal and Semimetal Clusters. An Appraisal of Electronic and Magnetic Indicators of Aromaticity
inferredcites →https://doi.org/10.1021/ct2005424openalex-snapshot
Evaluation of the Nonlinear Optical Properties for Annulenes with Hückel and Möbius Topologies
inferredcites →https://doi.org/10.1021/ct5002736openalex-snapshot
New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter Indices
inferredcites →https://doi.org/10.1021/j100096a001openalex-snapshot
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
inferredcites →https://doi.org/10.1021/ja00183a002openalex-snapshot
Aromaticity as a quantitative concept. 1. A statistical demonstration of the orthogonality of classical and magnetic aromaticity in five- and six-membered heterocycles
inferredcites →https://doi.org/10.1021/ja00747a015openalex-snapshot
Quantum organic photochemistry. I. Intramolecular potential energy surfaces for the lowest 3.pi..pi. state of polyenes
inferredcites →https://doi.org/10.1021/ja00769a025openalex-snapshot
Quantum organic photochemistry. II. Resonance and aromaticity in the lowest 3.pi..pi.* state of cyclic hydrocarbons
inferredcites →https://doi.org/10.1021/ja00859a001openalex-snapshot
Spatial localization of the electronic pair and number distributions in molecules
inferredcites →https://doi.org/10.1021/ja01005a059openalex-snapshot
Diamagnetic susceptibility exaltation as a criterion of aromaticity
inferredcites →https://doi.org/10.1021/ja052447jopenalex-snapshot
Möbius Aromaticity in [12]Annulene: Cis−Trans Isomerization via Twist-Coupled Bond Shifting
inferredcites →https://doi.org/10.1021/ja309434topenalex-snapshot
Description of Aromaticity in Porphyrinoids
inferredcites →https://doi.org/10.1021/ja801983dopenalex-snapshot
Unambiguous Identification of Möbius Aromaticity formeso-Aryl-Substituted [28]Hexaphyrins(1.1.1.1.1.1)
inferredcites →https://doi.org/10.1021/ja902836xopenalex-snapshot
Facile Formation of a Benzopyrane-Fused [28]Hexaphyrin That Exhibits Distinct Möbius Aromaticity
inferredcites →https://doi.org/10.1021/ja909913yopenalex-snapshot
Three-Level Topology Switching in a Molecular Möbius Band
inferredcites →https://doi.org/10.1021/ja960582dopenalex-snapshot
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
inferredcites →https://doi.org/10.1021/ja991429xopenalex-snapshot
Conformations of [10]Annulene: More Bad News for Density Functional Theory and Second-Order Perturbation Theory
inferredcites →https://doi.org/10.1021/jo4003823openalex-snapshot
Conformational Control in [22]- and [24]Pentaphyrins(1.1.1.1.1) by Meso Substituents and their N-Fusion Reaction
inferredcites →https://doi.org/10.1021/jo500569popenalex-snapshot
Effect of the Meso-Substituent in the Hückel-to-Möbius Topological Switches
inferredcites →https://doi.org/10.1021/jo801022bopenalex-snapshot
Chiral Aromaticities. AIM and ELF Critical Point and NICS Magnetic Analyses of Möbius-Type Aromaticity and Homoaromaticity in Lemniscular Annulenes and Hexaphyrins
inferredcites →https://doi.org/10.1021/jp0538464openalex-snapshot
Comparison of the AIM Delocalization Index and the Mayer and Fuzzy Atom Bond Orders
inferredcites →https://doi.org/10.1021/jp057387iopenalex-snapshot
Aromaticity Measures from Fuzzy-Atom Bond Orders (FBO). The Aromatic Fluctuation (FLU) and the para-Delocalization (PDI) Indexes
inferredcites →https://doi.org/10.1021/jp057517nopenalex-snapshot
Bonding in Methylalkalimetals (CH3M)n(M = Li, Na, K;n= 1, 4). Agreement and Divergences between AIM and ELF Analyses
inferredcites →https://doi.org/10.1021/jp0703206openalex-snapshot
Aromaticity of Distorted Benzene Rings: Exploring the Validity of Different Indicators of Aromaticity
inferredcites →https://doi.org/10.1021/jp0716132openalex-snapshot
Properties of Aromaticity Indices Based on the One-Electron Density Matrix
inferredcites →https://doi.org/10.1021/jp1021517openalex-snapshot
Aromatic Pathways in Twisted Hexaphyrins
inferredcites →https://doi.org/10.1021/jp3083612openalex-snapshot
Theoretical Study of the Switching between Hückel and Möbius Topologies for Expanded Porphyrins
inferredcites →https://doi.org/10.1021/jp310480dopenalex-snapshot
Validity and Limitations of the Bridged Annulene Model for Porphyrins
inferredcites →https://doi.org/10.1021/jp902176aopenalex-snapshot
The Geometry and Electronic Topology of Higher-Order Charged Möbius Annulenes
inferredcites →https://doi.org/10.1021/ol027571bopenalex-snapshot
How Aromatic Are Large (4n + 2)π Annulenes?
inferredcites →https://doi.org/10.1021/ol703129zopenalex-snapshot
Lemniscular Hexaphyrins as Examples of Aromatic and Antiaromatic Double-Twist Möbius Molecules
inferredcites →https://doi.org/10.1038/nature02224openalex-snapshot
Synthesis of a Möbius aromatic hydrocarbon
inferredcites →https://doi.org/10.1038/nchem.1955openalex-snapshot
Design and synthesis of the first triply twisted Möbius annulene
inferredcites →https://doi.org/10.1038/nchem.2233openalex-snapshot
Reversal of Hückel (anti)aromaticity in the lowest triplet states of hexaphyrins and spectroscopic evidence for Baird's rule
inferredcites →https://doi.org/10.1039/b002009popenalex-snapshot
Multicenter bond indices as a measure of aromaticity
inferredcites →https://doi.org/10.1039/b605086gopenalex-snapshot
Electron sharing indexes at the correlated level. Application to aromaticity calculations
inferredcites →https://doi.org/10.1039/b924972aopenalex-snapshot
Patterns of π-electron delocalization in aromatic and antiaromatic organic compounds in the light of Hückel's 4n + 2 rule
inferredcites →https://doi.org/10.1039/b925417jopenalex-snapshot
Aromaticity and photophysical properties of various topology-controlled expanded porphyrins
inferredcites →https://doi.org/10.1039/c1cp21812copenalex-snapshot
The gauge including magnetically induced current method
inferredcites →https://doi.org/10.1039/c1cp21935aopenalex-snapshot
Aromatic pathways in mono- and bisphosphorous singly Möbius twisted [28] and [30]hexaphyrins
inferredcites →https://doi.org/10.1039/c3cp55509gopenalex-snapshot
Exploring the structure–aromaticity relationship in Hückel and Möbius N-fused pentaphyrins using DFT
inferredcites →https://doi.org/10.1039/c4cp02932aopenalex-snapshot
A uniform approach to the description of multicenter bonding
inferredcites →https://doi.org/10.1039/c4ob01018copenalex-snapshot
Deciphering aromaticity in porphyrinoids via adaptive natural density partitioning
inferredcites →https://doi.org/10.1039/c5cp01306bopenalex-snapshot
Predicting the degree of aromaticity of novel carbaporphyrinoids
inferredcites →https://doi.org/10.1039/c5cp04280aopenalex-snapshot
Unwilling U–U bonding in U 2 @C 80 : cage-driven metal–metal bonds in di-uranium fullerenes
inferredcites →https://doi.org/10.1039/c5cp04489hopenalex-snapshot
On the non-classical contribution in lone-pair–π interaction: IQA perspective
inferredcites →https://doi.org/10.1039/c5cp05222jopenalex-snapshot
Unification of ground-state aromaticity criteria – structure, electron delocalization, and energy – in light of the quantum chemical topology
inferredcites →https://doi.org/10.1039/c5cp06987dopenalex-snapshot
New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities
inferredcites →https://doi.org/10.1039/c5cp07411hopenalex-snapshot
Understanding conductivity in molecular switches: a real space approach in octaphyrins
inferredcites →https://doi.org/10.1039/c5cp07413dopenalex-snapshot
Understanding the molecular switching properties of octaphyrins
inferredcites →https://doi.org/10.1039/c5cs00066aopenalex-snapshot
Quantifying aromaticity with electron delocalisation measures
inferredcites →https://doi.org/10.1039/c6cp00636aopenalex-snapshot
An electronic aromaticity index for large rings
inferredcites →https://doi.org/10.1039/c7cp00624aopenalex-snapshot
Calculations of current densities and aromatic pathways in cyclic porphyrin and isoporphyrin arrays
inferredcites →https://doi.org/10.1063/1.1677527openalex-snapshot
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.1824895openalex-snapshot
The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization
inferredcites →https://doi.org/10.1063/1.2222352openalex-snapshot
Erratum: “The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization” [J. Chem Phys. 122, 014109 (2005)]
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.4765667openalex-snapshot
Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch
inferredcites →https://doi.org/10.1080/00268976.2015.1121297openalex-snapshot
Bonding description of the Harpoon mechanism
inferredcites →https://doi.org/10.1093/oso/9780198551683.001.0001openalex-snapshot
Atoms in Molecules
inferredcites →https://doi.org/10.1139/v09-037openalex-snapshot
Chemical bonding and aromaticity in metalloporphyrins,
inferredcites →https://doi.org/10.1246/bcsj.81.826openalex-snapshot
Aromatic Conjugation Pathways in Porphyrins
inferredcites →https://doi.org/10.1351/pac199365010143openalex-snapshot
The porphyrins from the 'annulene chemist's' perspective
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.4654383openalex-extracted
Theoretical Exploration on the Aromaticity Regulation of Prophyrazine by (De)Protonation and (De)Hydrogenation
inferred← citeshttps://doi.org/10.1002/9781119129301.ch11openalex-snapshot
Porphyrins: Electronic Structure and Ultraviolet/Visible Absorption Spectroscopy
inferred← citeshttps://doi.org/10.1002/adts.202400906openalex-snapshot
Lone Pair‐Electrons‐ and Aromaticity‐Dependent Optical Nonlinearity Responses of (ƞ5‐Cp)Fe(η5‐P5), Fe(ƞ5‐P5)2, and [Fe(η4‐P4)2]2− Ferrocene Analogs
inferred← citeshttps://doi.org/10.1002/ajoc.202500372openalex-snapshot
Tuning Antiaromaticity Through Meso ‐Substituent Orientation in Core‐Modified Isophlorins
inferred← citeshttps://doi.org/10.1002/ange.202108997openalex-snapshot
How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring**
inferred← citeshttps://doi.org/10.1002/ange.202200672openalex-snapshot
Aromaticity and Extrusion of Benzenoids Linked to [o‐COSAN]−: Clar Has the Answer
inferred← citeshttps://doi.org/10.1002/ange.202206836openalex-snapshot
Reply to the Correspondence on “How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring”**
inferred← citeshttps://doi.org/10.1002/anie.202108997openalex-snapshot
How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring**
inferred← citeshttps://doi.org/10.1002/anie.202200672openalex-snapshot
Aromaticity and Extrusion of Benzenoids Linked to [o‐COSAN]−: Clar Has the Answer
inferred← citeshttps://doi.org/10.1002/anie.202206836openalex-snapshot
Reply to the Correspondence on “How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring”**
inferred← citeshttps://doi.org/10.1002/bkcs.12483openalex-snapshot
Ligand‐to‐metal charge transfer driven by excited‐state antiaromaticity in metallohexaphyrins
inferred← citeshttps://doi.org/10.1002/chem.201905088openalex-snapshot
Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka‐Like Cluster [Sn@Cu 12 @Sn 20 ] 12−
inferred← citeshttps://doi.org/10.1002/chem.202003713openalex-snapshot
Clar Goblet and Aromaticity Driven Multiradical Nanographenes
inferred← citeshttps://doi.org/10.1002/chem.202004322openalex-snapshot
Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with Its π‐Aromatic Circuits
inferred← citeshttps://doi.org/10.1002/chem.202201125openalex-snapshot
General Design Strategy of Anti‐aromatic Porphyrinoids
inferred← citeshttps://doi.org/10.1002/chem.202202264openalex-snapshot
Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins
inferred← citeshttps://doi.org/10.1002/chem.202400448openalex-snapshot
In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole
inferred← citeshttps://doi.org/10.1002/chem.202401016openalex-snapshot
Aromaticity in Semi‐Condensed Figure‐Eight Molecules
inferred← citeshttps://doi.org/10.1002/chem.202401282openalex-snapshot
Can Aromaticity Be Evaluated Using Atomic Partitions Based on the Hilbert‐Space?
inferred← citeshttps://doi.org/10.1002/chem.202401933openalex-snapshot
Aromaticity in the Spectroscopic Spotlight of Hexaphyrins
inferred← citeshttps://doi.org/10.1002/chem.71596openalex-snapshot
Exploring the Boundaries of Aromaticity in Complex Structures and Excited States Through Computational Analysis
inferred← citeshttps://doi.org/10.1002/cmtd.202500064openalex-snapshot
Exploring Aromaticity in Expanded Porphyrins: A Multidimensional Approach to Structure–Property Relationships
inferred← citeshttps://doi.org/10.1002/cphc.201800745openalex-snapshot
Theoretical Study on Open‐Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π‐Stacked Dimers Composed of Weak Open‐Shell Antiaromatic Porphyrins
inferred← citeshttps://doi.org/10.1002/cphc.202000923openalex-snapshot
Interplay of Hückel and Möbius Aromaticity in Metal‐Metal Quintuple Bonded Complexes of Cr, Mo, and W with Amidinate Ligand: Ab initio DFT and Multireference Analysis**
inferred← citeshttps://doi.org/10.1002/cphc.202200098openalex-snapshot
Strength and Nature of Host‐Guest Interactions in Metal‐Organic Frameworks from a Quantum‐Chemical Perspective
inferred← citeshttps://doi.org/10.1002/cphc.202400271openalex-snapshot
New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons
inferred← citeshttps://doi.org/10.1002/cphc.202400529openalex-snapshot
α/β Conflicting Aromaticity Under the Microscope: Study of Pro‐Aromatic Radicals
inferred← citeshttps://doi.org/10.1002/jcc.26018openalex-snapshot
Vorticity: Simplifying the analysis of the current density
inferred← citeshttps://doi.org/10.1002/open.201900014openalex-snapshot
Electron Delocalization in Planar Metallacycles: Hückel or Möbius Aromatic?
inferred← citeshttps://doi.org/10.1002/open.202000091openalex-snapshot
Reversal of Clar's Aromatic‐Sextet Rule in Ultrashort Single‐End‐Capped [5,5] Carbon Nanotubes
inferred← citeshttps://doi.org/10.1002/qua.25696openalex-snapshot
A simple alternative to the pseudo‐π method
inferred← citeshttps://doi.org/10.1002/qua.26152openalex-snapshot
Aromaticity of N‐heterocyclic carbene and its analogues: Magnetically induced ring current perspective
inferred← citeshttps://doi.org/10.1002/qua.27064openalex-snapshot
Structure–aromaticity–reactivity relationship of one‐ and two‐dimensional polyaromatic hydrocarbons and polyborazines
inferred← citeshttps://doi.org/10.1007/s00214-023-03032-6openalex-snapshot
On the aromaticity of substituted benzene
inferred← citeshttps://doi.org/10.1007/s00214-026-03342-5openalex-snapshot
A brief journey through aromaticity indices
inferred← citeshttps://doi.org/10.1007/s00894-023-05485-9openalex-snapshot
Assessment of the performance of six indices in predicating the aromaticity of planar porphyrinoids
inferred← citeshttps://doi.org/10.1016/b978-0-12-822723-7.00001-7openalex-snapshot
Aromaticity in molecules and transition structures: from atomic and molecular orbitals to simple ring current models
inferred← citeshttps://doi.org/10.1016/b978-0-12-822723-7.00005-4openalex-snapshot
Current density, current-density pathways, and molecular aromaticity
inferred← citeshttps://doi.org/10.1016/b978-0-12-822723-7.00006-6openalex-snapshot
Quantifying aromaticity according to the energetic criterion
inferred← citeshttps://doi.org/10.1016/b978-0-12-822723-7.00007-8openalex-snapshot
Aromaticity descriptors based on electron delocalization
inferred← citeshttps://doi.org/10.1016/b978-0-12-822723-7.00012-1openalex-snapshot
Baird aromaticity in excited states and open-shell ground states
inferred← citeshttps://doi.org/10.1016/j.chemphys.2020.111047openalex-snapshot
Theoretical insights into the ring structures and aromaticity of neutral and ionic (SiO)0, ±(n = 2–4)
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114501openalex-snapshot
Theoretical exploration on the aromaticity regulation of prophyrazine by (de)protonation and (de)hydrogenation
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114583openalex-snapshot
Influence of external electric field on properties of Cyclotriparaphenyl[6]carbon
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.04.067openalex-snapshot
Theoretical investigations of the aromaticity, stability and photophysical behaviors for expanded porphyrins
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.136696openalex-snapshot
Charge transfer properties of Gaq3 and its derivatives: An OLED study
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137093openalex-snapshot
Craig-Möbius type antiaromatic chelate ring
inferred← citeshttps://doi.org/10.1016/j.cplett.2023.140476openalex-snapshot
Theoretical investigation of the borazine B9N9 monocyclic ring
inferred← citeshttps://doi.org/10.1016/j.molstruc.2025.143310openalex-snapshot
Novel malononitrile substituted benzanthrone dyes: Synthesis, spectroscopic characterization, and combined experimental-DFT investigation of third-order nonlinear optical properties
inferred← citeshttps://doi.org/10.1016/j.saa.2021.120451openalex-snapshot
Confinement on the optical response in h-BNCs: Towards highly efficient SERS-active 2D substrates
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2023.163119openalex-snapshot
Aging affects isomer-specific occurrence of dechlorane plus in soil profiles: A case study in a geographically isolated landfill from the Tibetan Plateau
inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c00062openalex-snapshot
Mechanistic Studies of Transition-Metal-Catalyzed [2 + 2 + 2] Cycloaddition Reactions
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.2c03900openalex-snapshot
Rational Design to Activate Tetrafluoromethane by Two-Coordinate Borinium
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.4c03139openalex-snapshot
From (Sub)Porphyrins to (Sub)Phthalocyanines: Aromaticity Signatures in the UV–Vis Absorption Spectra
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c00297openalex-snapshot
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Huckel–Mobius Interconversions in Expanded Porphyrins
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c01212openalex-snapshot
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c01339openalex-snapshot
Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00139openalex-snapshot
Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes
inferred← citeshttps://doi.org/10.1021/acs.joc.3c02485openalex-snapshot
Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study
inferred← citeshttps://doi.org/10.1021/acs.joc.9b02526openalex-snapshot
Tuning the Strength of the Resonance-Assisted Hydrogen Bond in Acenes and Phenacenes with Two o-Hydroxyaldehyde Groups—The Importance of Topology
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c00665openalex-snapshot
Revealing the Real Size of a Porphyrin Molecule with Quantum Confinement Probing via Temperature-Dependent Photoluminescence Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c08926openalex-snapshot
Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c11188openalex-snapshot
Assessment of New Expanded Porpholactones as UV/Vis/NIR Chromophores for Dye-Sensitized Solar Cell Applications
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c02760openalex-snapshot
How Many Electrons Does a Molecular Electride Hold?
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c03555openalex-snapshot
Magnetically Induced Ring-Current Strengths of Planar and Nonplanar Molecules: New Insights from the Pseudo-π Model
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c07059openalex-snapshot
A Benchmark Study of Aromaticity Indexes for Benzene, Pyridine, and the Diazines - II. Excited State Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c00360openalex-snapshot
Frontier Orbital Views of Stacked Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c01588openalex-snapshot
Electron Transport through Linear-, Broken-, and Cross-Conjugated Polycyclic Compounds
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b02311openalex-snapshot
Computational Studies of Aromatic and Photophysical Properties of Expanded Porphyrins
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b11962openalex-snapshot
Antiaromatic or Nonaromatic? 21H,61H-2,6(2,5)-Dipyrrola-1,5(2,6)-dipyridinacyclooctaphane-3,7-diene: a Porphycene Derivative with 4N π Electrons
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b05656openalex-snapshot
Origins of the Electronic Modulations of Bacterio- and Isobacteriodilactone Regioisomers
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b10880openalex-snapshot
Performance of Electronic Structure Methods for the Description of Huckel–Mobius Interconversions in Extended π-Systems
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c00145openalex-snapshot
Electron–Hole Recombination Is Suppressed by Breaking the Ring Planarity in Porphyrin Nanorings: Density Functional Atomistic Simulation
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b10908openalex-snapshot
Fingerprint of Aromaticity and Molecular Topology on the Photophysical Properties of Octaphyrins
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b06302openalex-snapshot
Aromaticity of Hückel and Möbius Topologies Involved in Conformation Conversion of Macrocyclic [32]Octaphyrin(1.0.1.0.1.0.1.0): Refined Evidence from Multiple Visual Criteria
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b09033openalex-snapshot
Controllable Photophysical and Nonlinear Properties in Conformation Isomerization of Macrocyclic [32]Octaphyrin(1.0.1.0.1.0.1.0) Involving Hückel and Möbius Topologies
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b11170openalex-snapshot
Optical Properties of Novel Conjugated Nanohoops: Revealing the Effects of Topology and Size
inferred← citeshttps://doi.org/10.1021/acs.orglett.6c01951openalex-snapshot
Pyrrole Annulation Controls Protonation-Induced Topology Switching in π-Extended Core-Modified Figure-of-Eight Hexaphyrins
inferred← citeshttps://doi.org/10.1021/acsomega.4c09769openalex-snapshot
How the Orientation of BN Units Influences the Aromaticity of Some Iminobora-Benzenes
inferred← citeshttps://doi.org/10.1021/jacs.1c13478openalex-snapshot
Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?
inferred← citeshttps://doi.org/10.1021/jacs.2c10088openalex-snapshot
On-Surface Synthesis of Square-Type Porphyrin Tetramers with Central Antiaromatic Cyclooctatetraene Moiety
inferred← citeshttps://doi.org/10.1038/s41557-023-01149-6openalex-snapshot
Rupturing aromaticity by periphery overcrowding
inferred← citeshttps://doi.org/10.1039/c8cp05843aopenalex-snapshot
Second-order nonlinear optical properties of Stenhouse photoswitches: insights from density functional theory
inferred← citeshttps://doi.org/10.1039/c8sc02448kopenalex-snapshot
Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction
inferred← citeshttps://doi.org/10.1039/c9cp04819gopenalex-snapshot
Computational study of aromaticity, 1 H NMR spectra and intermolecular interactions of twisted thia-norhexaphyrin and its multiply annulated polypyrrolic derivatives
inferred← citeshttps://doi.org/10.1039/c9cp06120gopenalex-snapshot
Switching between Hückel and Möbius aromaticity: a density functional theory and information-theoretic approach study
inferred← citeshttps://doi.org/10.1039/d0cp02992kopenalex-snapshot
Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines
inferred← citeshttps://doi.org/10.1039/d0cp03272gopenalex-snapshot
Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field
inferred← citeshttps://doi.org/10.1039/d1cp02500gopenalex-snapshot
Impact of van der Waals interactions on the structural and nonlinear optical properties of azobenzene switches
inferred← citeshttps://doi.org/10.1039/d1cs00742dopenalex-snapshot
Porphyrinoids, a unique platform for exploring excited-state aromaticity
inferred← citeshttps://doi.org/10.1039/d3ob01616aopenalex-snapshot
Tetraquinolines; four linked quinoline units or porphyrinoids
inferred← citeshttps://doi.org/10.1039/d3sc05251fopenalex-snapshot
Open shell (4 n + 2)π and closed shell 4 n π planar core-modified decaphyrins
inferred← citeshttps://doi.org/10.1039/d3tc02151copenalex-snapshot
Triplet conformation in chromophore-fused cyclooctatetraene dyes
inferred← citeshttps://doi.org/10.1039/d4cc00890aopenalex-snapshot
Synthesis of a novel twisted π-conjugated macrocycle via double Friedel–Crafts reaction and its physical properties
inferred← citeshttps://doi.org/10.1039/d4cp00310aopenalex-snapshot
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations
inferred← citeshttps://doi.org/10.1039/d4cp03303eopenalex-snapshot
Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning
inferred← citeshttps://doi.org/10.1039/d4dd00389fopenalex-snapshot
Pursuit of singlet fission fulvene candidates using inverse design
inferred← citeshttps://doi.org/10.1039/d4qo01073fopenalex-snapshot
Comment on “Polycyclic aromatic hydrocarbons containing antiaromatic chalcogenopyrano[3,2- b ]-chalcogenopyrans” by W. Chen, H. Zong, Y. Xie, J. Xu, J.-W. Cai, S.-D. Wang and G. Zhou, Org. Chem. Front. , 2024, 11, 390
inferred← citeshttps://doi.org/10.1039/d4sc02269fopenalex-snapshot
Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments
inferred← citeshttps://doi.org/10.1039/d4sc03465aopenalex-snapshot
Prediction of the ground state for indenofluorene-type systems with Clar's π-sextet model
inferred← citeshttps://doi.org/10.1039/d4sc08225gopenalex-snapshot
Effect of size, charge, and spin state on Hückel and Baird aromaticity in [ N ]annulenes
inferred← citeshttps://doi.org/10.1039/d5sc05918fopenalex-snapshot
Interplay between diradical character, aromaticity and conductance in oligothiophenes
inferred← citeshttps://doi.org/10.1039/d6nj01804aopenalex-snapshot
Revisiting aromaticity in expanded radialenes: conflicting descriptors across charge states and ring sizes
inferred← citeshttps://doi.org/10.1039/d6nr00117copenalex-snapshot
Quantum simulation of carrier dynamics in nanographene-fused carbaporphyrin tweezers@C60 heterojunctions: role of dihedral-angle engineering
inferred← citeshttps://doi.org/10.1063/5.0144827openalex-snapshot
Host–guest interactions in framework materials: Insight from modeling
inferred← citeshttps://doi.org/10.1080/00268976.2025.2522999openalex-snapshot
Theoretical study of global and local aromaticity in cation macrocycles derived from allotrope γ -graphdiyne
inferred← citeshttps://doi.org/10.1093/nsr/nwac216openalex-snapshot
A unified superatomic-molecule theory for local aromaticity in π-conjugated systems
inferred← citeshttps://doi.org/10.26434/chemrxiv-2021-7qb90openalex-snapshot
Three-Dimensional Fully pi-Conjugated Macrocycles: When Truly 3D-Aromatic and when 2D-Aromatic-in-3D?
inferred← citeshttps://doi.org/10.26434/chemrxiv-2021-7qb90-v2openalex-snapshot
Three-Dimensional Fully pi-Conjugated Macrocycles: When 3D-Aromatic and when 2D-Aromatic-in-3D?
inferred← citeshttps://doi.org/10.26434/chemrxiv.14330405openalex-snapshot
How Many Electrons Holds a Molecular Electride?
inferred← citeshttps://doi.org/10.26434/chemrxiv.14363024openalex-snapshot
Strength and Nature of Host-Guest Interactions in Metal-Organic Frameworks from a Quantum-Chemical Perspective
inferred← citeshttps://doi.org/10.3389/fchem.2021.786036openalex-snapshot
Fine-Tuning of Nonlinear Optical Contrasts of Hexaphyrin-Based Molecular Switches Using Inverse Design
inferred← citeshttps://doi.org/10.3390/molecules23061333openalex-snapshot
Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of Porphyrinoids
inferred← citeshttps://doi.org/10.3390/molecules25030711openalex-snapshot
How do the Hückel and Baird Rules Fade away in Annulenes?
inferred← citeshttps://doi.org/10.3390/nano16191254openalex-snapshot
Structural, Aromatic, Optical and Reactive Features of C12-(CO)n (n = 2, 4, 6): A DFT Study
inferred← citeshttps://doi.org/10.3390/sci4020024openalex-snapshot
Aromaticity Concepts Derived from Experiments
inferred← citeshttps://doi.org/10.3762/bjoc.22.110openalex-snapshot
Properties and applications of [ n ]cumulenes
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.