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Nucleus-Independent Chemical Shifts (NICS): Distance Dependence and Revised Criteria for Aromaticity and Antiaromaticity
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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/(sici)1521-3773(19980803)37:13/14<1945::aid-anie1945>3.0.co;2-eopenalex-snapshot
Consequences of Triplet Aromaticity in 4nπ-Electron Annulenes: Calculation of Magnetic Shieldings for Open-Shell Species
inferredcites →https://doi.org/10.1021/ja00204a001openalex-snapshot
A new population analysis based on atomic polar tensors
inferredcites →https://doi.org/10.1021/ja0021464openalex-snapshot
Corannulene as a Lewis Base: Computational Modeling of Protonation and Lithium Cation Binding
inferredcites →https://doi.org/10.1021/ja034497zopenalex-snapshot
Towards Graphite: Magnetic Properties of Large Polybenzenoid Hydrocarbons
inferredcites →https://doi.org/10.1021/ja048919wopenalex-snapshot
Oligoacenes: Theoretical Prediction of Open-Shell Singlet Diradical Ground States
inferredcites →https://doi.org/10.1021/ja960582dopenalex-snapshot
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
inferredcites →https://doi.org/10.1021/ja983113fopenalex-snapshot
Hyperconjugative π-Aromaticity: How To Make Cyclopentadiene Aromatic
inferredcites →https://doi.org/10.1021/jo0480388openalex-snapshot
Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n= 1−9)
inferredcites →https://doi.org/10.1021/jo048988topenalex-snapshot
Local Aromaticity of the Six-Membered Rings in Pyracylene. A Difficult Case for the NICS Indicator of Aromaticity
inferredcites →https://doi.org/10.1021/jo049245aopenalex-snapshot
Molecular Geometry as a Source of Chemical Information. 3. How H-Bonding Affects Aromaticity of the Ring in the Case of Phenol and p-Nitrophenol Complexes: A B3LYP/6-311+G** Study
inferredcites →https://doi.org/10.1021/jo0560254openalex-snapshot
Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9).
inferredcites →https://doi.org/10.1021/ol016217vopenalex-snapshot
Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity
inferredcites →https://doi.org/10.1021/ol016553bopenalex-snapshot
The Acenes: Is There a Relationship between Aromatic Stabilization and Reactivity?
inferredcites →https://doi.org/10.1021/ol049200wopenalex-snapshot
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inferredcites →https://doi.org/10.1039/a809116aopenalex-snapshot
The crystal and molecular structure of 2,7-di-tert-butyl-4,5,9,10-tetraphenylbenzo[1,2,:4,5]dicyclobutadiene: an exceptionally long C–C aromatic bond
inferredcites →https://doi.org/10.1039/b209674aopenalex-snapshot
Evaluation of aromaticity: A new dissected NICS model based on canonical orbitals
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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inferred← citeshttps://doi.org/10.1002/chem.202300519openalex-snapshot
Unveiling Photodegradation and Photosensitization Mechanisms of Unconjugated Pterins
inferred← citeshttps://doi.org/10.1002/chem.202300992openalex-snapshot
Dichotomy of Delocalization/Localization and Charge‐Shift Bonding in Germanazene and its Heavier Group 14 Analogues: a Valence Bond Study
inferred← citeshttps://doi.org/10.1002/chem.202301153openalex-snapshot
Comparison of Antiaromatic Properties in a Series of Structurally Isomeric Naphthothiophene‐Fused s‐Indacenes
inferred← citeshttps://doi.org/10.1002/chem.202301663openalex-snapshot
Bismuth Infrared Star: Being at a Glance
inferred← citeshttps://doi.org/10.1002/chem.202302243openalex-snapshot
Ring Strain Energy of Diheteropnictogeniranes El2Pn (Pn=N, P, As, Sb)– Accurate versus Additive Approaches
inferred← citeshttps://doi.org/10.1002/chem.202302688openalex-snapshot
Extended Tetrathiafulvalenes with Fluoreno[3,2‐b]fluorene and Diindeno[1,2‐b : 1′,2′‐i]anthracene Cores
inferred← citeshttps://doi.org/10.1002/chem.202303701openalex-snapshot
Polar covalent apex‐base bonding in borapyramidanes probed by solid‐state NMR and DFT calculations
inferred← citeshttps://doi.org/10.1002/chem.202400935openalex-snapshot
Low‐lying LUMO Boosts Conductance in Antiaromatic Dibenzopentalene Versus Aromatic Analogues
inferred← citeshttps://doi.org/10.1002/chem.202403670openalex-snapshot
A Stable Carbon‐Centered Radical Showing Six Amphoteric Redox States
inferred← citeshttps://doi.org/10.1002/chem.202501101openalex-snapshot
Ring Contraction of Cyclooctatetraenes toward Non‐Benzenoid Polycyclic Aromatic Hydrocarbons by Au(111)‐Catalysis and Bulk Pyrolysis
inferred← citeshttps://doi.org/10.1002/chem.202502467openalex-snapshot
Cyclopenta‐Fused Polyaromatic Hydrocarbon (CP‐PAH) Radicals: Synthesis, Characterization, and Quantum Chemical Calculations
inferred← citeshttps://doi.org/10.1002/chem.600541openalex-snapshot
Local Aromaticity in Polycyclic Aromatic Hydrocarbons: Electron Delocalization versus Magnetic Indices
inferred← citeshttps://doi.org/10.1002/cjoc.202200518openalex-snapshot
Facile Synthesis of S‐Fused Multi‐Membered Polycyclic Heterocycles: A Construction Strategy towards Thermally Stable Thiepine Derivatives
inferred← citeshttps://doi.org/10.1002/cphc.200900714openalex-snapshot
Inside a Superatom: The M7q (M=Cu, Ag, q=1+, 0, 1−) Case
inferred← citeshttps://doi.org/10.1002/cphc.201501019openalex-snapshot
A Study of π–π Stacking Interactions and Aromaticity in Polycyclic Aromatic Hydrocarbon/Nucleobase Complexes
inferred← citeshttps://doi.org/10.1002/cphc.201900128openalex-snapshot
An Additivity Scheme for Aromaticity: The Heteroatom Case
inferred← citeshttps://doi.org/10.1002/cphc.201900952openalex-snapshot
NICS‐XY‐Scan Predictions of Local, Semi‐Global, and Global Ring Currents in Annulated Pentalene and s‐Indacene Cores Compared to First‐Principles Current Density Maps
inferred← citeshttps://doi.org/10.1002/cphc.202000654openalex-snapshot
Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy
inferred← citeshttps://doi.org/10.1002/cphc.202200271openalex-snapshot
Spherical Aromaticity of Tetrahedral Pnictogens Through Off ‐Nucleus Isotropic Magnetic Shielding
inferred← citeshttps://doi.org/10.1002/cphc.202300080openalex-snapshot
Nucleus Independent Chemical Shift (NICS) at Small Distances from the Molecular Plane: The Effect of Electron Density
inferred← citeshttps://doi.org/10.1002/cphc.202400128openalex-snapshot
Principal Singlet Fission Properties Of Twisted Acenes
inferred← citeshttps://doi.org/10.1002/cphc.70421openalex-snapshot
σ‐Aromaticity in Trinuclear and Tetranuclear Transition Metal Carbonyl Clusters: A Comprehensive Magnetic and Electronic Analysis
inferred← citeshttps://doi.org/10.1002/cplu.201800605openalex-snapshot
Serendipitous Rediscovery of the Facile Cyclization of Z,Z‐3,5‐Octadiene‐1,7‐diyne Derivatives to Afford Stable, Substituted Naphthocyclobutadienes
inferred← citeshttps://doi.org/10.1002/cplu.201900066openalex-snapshot
Is Excited‐State Aromaticity a Driving Force for Planarization of Dibenzannelated 8π‐Electron Heterocycles?
inferred← citeshttps://doi.org/10.1002/cptc.201800268openalex-snapshot
A Straightforward Route to Aromatic Excited States in Molecular Motors that Improves Photochemical Efficiency
inferred← citeshttps://doi.org/10.1002/cptc.201900046openalex-snapshot
Searching for Diradicaloid Chromophores with Efficient Singlet Fission: Cyano‐Group Substitution of Difuropyrene Systems
inferred← citeshttps://doi.org/10.1002/cptc.202300225openalex-snapshot
Polycyclic Heteroaromatic π‐Linkers Provide Dithienylethene Switches with Favorable Thermal and Photochemical Properties for Solar‐Energy Storage
inferred← citeshttps://doi.org/10.1002/ejic.200701051openalex-snapshot
A Brave New World: The Heteroatom Chemistry of 1,3,2,4‐Benzodithiadiazines and Related Compounds
inferred← citeshttps://doi.org/10.1002/ejic.201000620openalex-snapshot
Planar Tetracoordinate Carbon Atoms in M4C Square Sheets (M = Ni, Pd, and Pt) Sandwiched between the Large π‐Coordinating Ligands [C8H8]2– and [C9H9]–
inferred← citeshttps://doi.org/10.1002/ejic.202200430openalex-snapshot
A New Family of Tropylium Ions: Tropone–Triarylborane Complexes
inferred← citeshttps://doi.org/10.1002/ejic.202300641openalex-snapshot
Carbonylation of Boranes – A Computational Study
inferred← citeshttps://doi.org/10.1002/ejoc.201600470openalex-snapshot
Synthesis of Dicyano‐Substituted Benzo[c]fluorenes from Tetraaryl[3]cumulenes
inferred← citeshttps://doi.org/10.1002/ejoc.201801047openalex-snapshot
Analysis of Stability and (Anti)aromaticity of BN‐Dibenzo[a,e]pentalenes
inferred← citeshttps://doi.org/10.1002/ejoc.201801389openalex-snapshot
The Seven‐Membered Ring in Bis‐Azuleno‐Naphthalene is Non‐Aromatic
inferred← citeshttps://doi.org/10.1002/ejoc.201801766openalex-snapshot
Response to “The Seven‐Membered Ring in Bis‐Azuleno‐Naphthalene is Non‐Aromatic”
inferred← citeshttps://doi.org/10.1002/ejoc.202100352openalex-snapshot
Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity**
inferred← citeshttps://doi.org/10.1002/ejoc.202101067openalex-snapshot
Revisiting the Octadehydro[12]annulenes
inferred← citeshttps://doi.org/10.1002/ejoc.202101228openalex-snapshot
Zwitterionic Aromaticity on Azulene Extrapolated to carbo ‐Azulene
inferred← citeshttps://doi.org/10.1002/ejoc.202101315openalex-snapshot
Synthesis, Structures and Properties of Bis(naphthocyclobuta)pyrenes
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/ejoc.202301183openalex-snapshot
Metallocarbenes as Substituents in 8‐Electron Electrocyclizations
inferred← citeshttps://doi.org/10.1002/ejoc.202500669openalex-snapshot
[3]Radialene Fluorophores with pH‐Switchable Emission and Stable Absorption Maxima
inferred← citeshttps://doi.org/10.1002/jcc.20468openalex-snapshot
QTAIM n ‐center delocalization indices as descriptors of aromaticity in mono and poly heterocycles
inferred← citeshttps://doi.org/10.1002/jcc.20491openalex-snapshot
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach
inferred← citeshttps://doi.org/10.1002/jcc.20715openalex-snapshot
Growth format, electronic architecture, magnetic, and optical properties of aromatic cyclo‐Cu3Au3 homotops
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.21291openalex-snapshot
Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts
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.21377openalex-snapshot
A universal scale of aromaticity for π‐organic compounds
inferred← citeshttps://doi.org/10.1002/jcc.21520openalex-snapshot
Multidimensionality of delocalization indices and nucleus‐independent chemical shifts in polycyclic aromatic hydrocarbons II: Proof of further nonlocality
inferred← citeshttps://doi.org/10.1002/jcc.21824openalex-snapshot
A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings
inferred← citeshttps://doi.org/10.1002/jcc.24917openalex-snapshot
Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents
inferred← citeshttps://doi.org/10.1002/jcc.25076openalex-snapshot
Polygonal current models for polycyclic aromatic hydrocarbons and graphene sheets of various shapes
inferred← citeshttps://doi.org/10.1002/jcc.25095openalex-snapshot
Interpreting the behavior of the by resolving in orbitals, sign, and positions
inferred← citeshttps://doi.org/10.1002/jcc.26434openalex-snapshot
Structure, stability and bonding of the leapfrog B240 ,±1,±2
inferred← citeshttps://doi.org/10.1002/jcc.26774openalex-snapshot
Graphene‐induced planarization of cyclooctatetraene derivatives
inferred← citeshttps://doi.org/10.1002/jcc.26854openalex-snapshot
Overlapping electron density and the global delocalization of π‐aromatic fragments as the reason of conductivity of the biphenylene network
inferred← citeshttps://doi.org/10.1002/jcc.26994openalex-snapshot
Structure and bonding of proximity‐enforced main‐group dimers stabilized by a rigid naphthyridine diimine ligand
inferred← citeshttps://doi.org/10.1002/jcc.70153openalex-snapshot
Extremely High RAHB Energies Quantified via a Molecular Tailoring Approach in Fused‐Ring Tropolones and Their Effect on the Electronic Structure and Optical Properties
inferred← citeshttps://doi.org/10.1002/jccs.201500027openalex-snapshot
Evaluating Shielding‐Based Ring‐Current Models by Using the Gauge‐Including Magnetically Induced Current Method
inferred← citeshttps://doi.org/10.1002/mrc.4880openalex-snapshot
Local aromaticity mapping in the vicinity of planar and nonplanar molecules
inferred← citeshttps://doi.org/10.1002/mrc.4967openalex-snapshot
Local aromaticity in polyacenes manifested by individual proton and carbon shieldings: DFT mapping of aromaticity
inferred← citeshttps://doi.org/10.1002/mrc.5482openalex-snapshot
Simple and Effective Identification of Local 6 π ‐ and Global [4 n + 2] Aromaticity of Macrocyclic Conjugated Hydrocarbons by 1 H/ 13 C Chemical Shifts and the Corresponding Ring Current Effect
inferred← citeshttps://doi.org/10.1002/open.202000105openalex-snapshot
Delocalization in Substituted Benzene Dications: A Magnetic Point of View
inferred← citeshttps://doi.org/10.1002/open.202100202openalex-snapshot
Bonding, Aromaticity and Isomerization of Furfuraldehyde through Off ‐Nucleus Isotropic Magnetic Shielding
inferred← citeshttps://doi.org/10.1002/poc.1643openalex-snapshot
Computational study of the cooperative effects of nitrogen and silicon atoms on the singlet–triplet energy spacing in 1,3‐diradicals and the reactivity of their singlet states
inferred← citeshttps://doi.org/10.1002/poc.1794openalex-snapshot
Theoretical studies on aromaticity of selected hydroxypyrones. Part 3#. Chelatoaromaticity phenomenon in metalcomplexes of hydroxypyrones
inferred← citeshttps://doi.org/10.1002/poc.3265openalex-snapshot
Through‐space interactions in enshrouded m‐terphenylsilanes
inferred← citeshttps://doi.org/10.1002/poc.3823openalex-snapshot
Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis
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