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Introduction: Aromaticity
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Tetraaryl Cyclopentadienones: Experimental and Theoretical Insights into Negative Solvatochromism and Electrochemistry
inferred← citeshttps://doi.org/10.1002/ejoc.202100503openalex-snapshot
Crystal Structures of Tetramesityl‐Substituted Tetracyclopenta[def,jkl,pqr,vwx]tetraphenylene
inferred← citeshttps://doi.org/10.1002/ejoc.202201008openalex-snapshot
Quantifying Vertical Resonance Energy in Aromatic Systems with Natural Bond Orbitals
inferred← citeshttps://doi.org/10.1002/jcc.20349openalex-snapshot
Structure, magnetizability, and nuclear magnetic shielding tensors of bis‐heteropentalenes. IV. Dihydrophospholophosphole isomers
inferred← citeshttps://doi.org/10.1002/jcc.20516openalex-snapshot
Diatropicity of tetraazanaphthalenes
inferred← citeshttps://doi.org/10.1002/jcc.20794openalex-snapshot
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
inferred← citeshttps://doi.org/10.1002/jcc.20914openalex-snapshot
On the performance of some aromaticity indices: A critical assessment using a test set
inferred← citeshttps://doi.org/10.1002/jcc.21083openalex-snapshot
Understanding the ring current effects on magnetic shielding of hydrogen and carbon nuclei in naphthalene and anthracene
inferred← citeshttps://doi.org/10.1002/jcc.21327openalex-snapshot
Diagnosis of magnetoresponsive aromatic and antiaromatic zones in three‐membered rings of d‐ and f‐block elements
inferred← citeshttps://doi.org/10.1002/jcc.21614openalex-snapshot
New procedure to evaluate aromaticity at the density functional theory, Hartree–Fock, and post‐self‐consistent field levels
inferred← citeshttps://doi.org/10.1002/jcc.23383openalex-snapshot
Bonding analysis of planar hypercoordinate atoms via the generalized BLW‐LOL
inferred← citeshttps://doi.org/10.1002/jcc.24801openalex-snapshot
Is coronene better described by C lar's aromatic π‐sextet model or by the AdNDP representation?
inferred← citeshttps://doi.org/10.1002/jcc.25074openalex-snapshot
Relevance of the DFT method to study expanded porphyrins with different topologies
inferred← citeshttps://doi.org/10.1002/jcc.27192openalex-snapshot
Adaptive σ aromaticity in the rhenacyclopropene rings
inferred← citeshttps://doi.org/10.1002/poc.1291openalex-snapshot
Topological resonance energy, bond resonance energy, and circuit resonance energy
inferred← citeshttps://doi.org/10.1002/poc.1394openalex-snapshot
Structural aspects of the intermolecular hydrogen bond strength: H‐bonded complexes of aniline, phenol and pyridine derivatives
inferred← citeshttps://doi.org/10.1002/poc.1619openalex-snapshot
Substituent effect on local aromaticity in mono and di‐substituted heterocyclic analogs of naphthalene
inferred← citeshttps://doi.org/10.1002/poc.3117openalex-snapshot
Anionic derivatives of altan‐corannulene
inferred← citeshttps://doi.org/10.1002/poc.3237openalex-snapshot
2‐Methoxynaphthylnaphthoquinone and its solvate: synthesis and structure–properties relationship
inferred← citeshttps://doi.org/10.1002/poc.3274openalex-snapshot
CTED: the new aromaticity index based on corrected total electron density at bond critical points
inferred← citeshttps://doi.org/10.1002/poc.3558openalex-snapshot
The intriguing class of altan‐molecules
inferred← citeshttps://doi.org/10.1002/poc.3617openalex-snapshot
A density functional theory investigation of the stability, aromaticity, and photophysical behavior for the highly conjugated macrocycles containing 4 pyrroles
inferred← citeshttps://doi.org/10.1002/poc.4154openalex-snapshot
Augmented Hückel molecular orbital model of π‐electron systems: from topology to metric. I. General theory
inferred← citeshttps://doi.org/10.1002/poc.4450openalex-snapshot
Adaptive aromaticity in osmapentalene and osmapyridinium complexes with carbone ligands
inferred← citeshttps://doi.org/10.1002/poc.4463openalex-snapshot
Aromaticity and antiaromaticity in monoheterocyclic three‐membered rings: Application of natural bond orbital theory
inferred← citeshttps://doi.org/10.1002/poc.605openalex-snapshot
Variation of the π‐electron delocalization in exocyclically substituted heptafulvene derivatives
inferred← citeshttps://doi.org/10.1002/poc.658openalex-snapshot
Aromaticity and antiaromaticity: what role do ionic configurations play in delocalization and induction of magnetic properties?
inferred← citeshttps://doi.org/10.1002/poc.666openalex-snapshot
Non‐additivity of the static correlation energy of π‐electrons in planar molecules as a manifestation of anti/aromaticity
inferred← citeshttps://doi.org/10.1002/poc.670openalex-snapshot
Ab initio study of tautomerism and of basicity center preference in histamine, from gas phase to solution—comparison with experimental data (gas phase, solution, solid state)
inferred← citeshttps://doi.org/10.1002/poc.70000openalex-snapshot
False Identification of (Anti)aromaticity in Polycyclic Molecules in Ground and Excited States Through Incorrect Use of NICS
inferred← citeshttps://doi.org/10.1002/poc.70024openalex-snapshot
Assessing the Aromaticity of Fluorinated Benzene Derivatives Using New Descriptors Based on the Distributed Multipole Analysis (DMA) Partition of the Electron Density
inferred← citeshttps://doi.org/10.1002/poc.756openalex-snapshot
Solvolysis of aromatic benzoyl chlorides: how is the π‐electron stabilization of the aromatic acyl chlorides and acylium cations related to the π‐electron delocalization?
inferred← citeshttps://doi.org/10.1002/poc.844openalex-snapshot
Theoretical studies on the aromaticity of selected hydroxypyrones and their cations and anions. Part 1—Aromaticity of heterocyclic pyran rings
inferred← citeshttps://doi.org/10.1002/poc.922openalex-snapshot
Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons
inferred← citeshttps://doi.org/10.1002/poc.938openalex-snapshot
Assessment of Clar's aromatic π‐sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity
inferred← citeshttps://doi.org/10.1002/poc.945openalex-snapshot
Vinyl or isopropenyl substituents as experimental and theoretical probes for diamagnetic anisotropies of aromatic hydrocarbons
inferred← citeshttps://doi.org/10.1002/poc.960openalex-snapshot
Relation between resonance energy and substituent resonance effect in P‐phenols
inferred← citeshttps://doi.org/10.1002/poc.963openalex-snapshot
Tautomeric equilibria, H‐bonding and π‐electron delocalization in o‐nitrosophenol. A B3LYP/6–311 + G(2df,2p) study
inferred← citeshttps://doi.org/10.1002/qua.20223openalex-snapshot
Superconducting first‐order pairing: Finite‐temperature simulations
inferred← citeshttps://doi.org/10.1002/qua.20895openalex-snapshot
Physisorption of N 2 on graphene platelets: An Ab initio study
inferred← citeshttps://doi.org/10.1002/qua.21484openalex-snapshot
A quantum chemistry study on boron nitrides (BNN)2n and (BNN)2n2+ (n = 3–8)
inferred← citeshttps://doi.org/10.1002/qua.21925openalex-snapshot
Computational study of TNT synthesis in solvated nitration reaction systems
inferred← citeshttps://doi.org/10.1002/qua.22271openalex-snapshot
The substitution effect on heavy versions of cyclobutadiene
inferred← citeshttps://doi.org/10.1002/qua.22935openalex-snapshot
Stable complex C2H4Al4Li3− and its similarity with bicyclo[2.2.0]hex‐2‐ene: A DFT study
inferred← citeshttps://doi.org/10.1002/qua.24613openalex-snapshot
Are there really cooper pairs and persistent currents in aromatic molecules?
inferred← citeshttps://doi.org/10.1002/qua.25382openalex-snapshot
An investigation of aromaticity in hydroxybenzenes based on the study of magnetically induced current density
inferred← citeshttps://doi.org/10.1002/qua.25759openalex-snapshot
Aromaticity of some carbenes and their heavier analogs in light of gauge‐including magnetically induced current approach as a new magnetic criterium
inferred← citeshttps://doi.org/10.1002/slct.201601384openalex-snapshot
Aromaticity in Pericyclic Transition State Structures? A Critical Rationalisation Based on the Topological Analysis of Electron Density
inferred← citeshttps://doi.org/10.1002/slct.201602080openalex-snapshot
Aromaticity, the Hückel 4 n+2 Rule and Magnetic Current
inferred← citeshttps://doi.org/10.1002/slct.202100689openalex-snapshot
Effects of Multiple OH/SH Substitution on the H‐Bonding/Stability versus Aromaticity of Benzene Rings: From Computational Insights
inferred← citeshttps://doi.org/10.1002/slct.202203958openalex-snapshot
Synthesis of Quinoline‐Pyrene Derivatives and Theoretical Investigation of Their Fluorescence and Electronic Properties
inferred← citeshttps://doi.org/10.1002/slct.202501788openalex-snapshot
A Computational Investigation on the Characteristic Electron Delocalization of Symmetrical Squaraine Dyes
inferred← citeshttps://doi.org/10.1002/solr.202300106openalex-snapshot
Enhanced Photovoltaic Property and Panchromatic Photocatalytic by Forming D‐π‐A‐Bacteriochlorin Dyads: A Computational Investigation
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