On the public citation graph
Ground- and Excited-State Aromaticity and Antiaromaticity in Benzene and Cyclobutadiene
0 signed · 286 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known work and none has been retracted — and get a dated CiteStamped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)1097-461x(1998)70:4/5<637::aid-qua10>3.0.co;2-#openalex-snapshot
Modern valence bond descriptions of molecular excited states: An application of CASVB
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/10.1002/1521-3773(20010119)40:2<362::aid-anie362>3.0.co;2-zopenalex-snapshot
Counter-Rotating Ring Currents in Coronene and Corannulene
inferredcites →https://doi.org/10.1002/anie.199411921openalex-snapshot
s‐Indacene: A Delocalized, Formally Antiaromatic 12 π Electron System
inferredcites →https://doi.org/10.1002/qua.990openalex-snapshot
Benzocyclobutadiene: The question of structures, magnetic shieldings, and aromatic character*
inferredcites →https://doi.org/10.1016/0009-2614(87)87173-7openalex-snapshot
Gas-phase 13C chemical shifts in the zero-pressure limit: refinements to the absolute shielding scale for 13C
inferredcites →https://doi.org/10.1016/0009-2614(88)87416-5openalex-snapshot
The molecular structure of the lowest triplet state of benzene: Quinoid or anti-quinoid?
inferredcites →https://doi.org/10.1016/0009-2614(95)00379-7openalex-snapshot
Electron excitation effects on NMR shieldings in small organic molecules
inferredcites →https://doi.org/10.1016/0040-4020(82)85021-7openalex-snapshot
Ab initio study of cyclobutadiene in excited states: optimized geometries, electronic transitions and aromaticities
inferredcites →https://doi.org/10.1016/0301-0104(89)80129-6openalex-snapshot
Second-order jahn-teller effect of cyclobutadiene in low-lying states. An MCSCF study
inferredcites →https://doi.org/10.1016/0301-0104(95)00052-popenalex-snapshot
Accurate magnetizabilities of the isoelectronic series BeH−, BH, and CH+. The MCSCF-GIAO approach
inferredcites →https://doi.org/10.1016/j.cplett.2007.11.053openalex-snapshot
Ring-current aromaticity in open-shell systems
inferredcites →https://doi.org/10.1016/s0009-2614(03)00349-xopenalex-snapshot
Ring-current aromaticity in triplet states of 4n π electron monocycles
inferredcites →https://doi.org/10.1021/j100025a020openalex-snapshot
The Electronic Structure of Cyclooctatetraene and the Modern Valence-Bond Understanding of Antiaromaticity
inferredcites →https://doi.org/10.1021/ja00091a039openalex-snapshot
IGLO Study of Benzene and Some of Its Isomers and Related Molecules. Search for Evidence of the Ring Current Model
inferredcites →https://doi.org/10.1021/ja00271a008openalex-snapshot
The generalized resonating valence bond description of cyclobutadiene
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/ja960582dopenalex-snapshot
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
inferredcites →https://doi.org/10.1021/ja9719135openalex-snapshot
An Evaluation of the Aromaticity of Inorganic Rings: Refined Evidence from Magnetic Properties
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/ol0529546openalex-snapshot
Which NICS Aromaticity Index for Planar π Rings Is Best?
inferredcites →https://doi.org/10.1038/323699a0openalex-snapshot
The electronic structure of the benzene molecule
inferredcites →https://doi.org/10.1039/b706135hopenalex-snapshot
Theory and computation of nuclear magnetic resonance parameters
inferredcites →https://doi.org/10.1063/1.1535904openalex-snapshot
Calculations of nuclear magnetic shielding in paramagnetic molecules
inferredcites →https://doi.org/10.1063/1.1574314openalex-snapshot
Quantitative prediction of gas-phase C13 nuclear magnetic shielding constants
inferredcites →https://doi.org/10.1063/1.1668178openalex-snapshot
High-Resolution Study of Electron-Impact Spectra at Kinetic Energies between 33 and 100 eV and Scattering Angles to 16°
inferredcites →https://doi.org/10.1063/1.1672424openalex-snapshot
Low-Energy Electron-Impact Study of the First, Second, and Third Triplet States of Benzene
inferredcites →https://doi.org/10.1063/1.2222366openalex-snapshot
Automerization reaction of cyclobutadiene and its barrier height: An ab initio benchmark multireference average-quadratic coupled cluster study
inferredcites →https://doi.org/10.1063/1.458809openalex-snapshot
Conformational instability of the lowest triplet state of the benzene nucleus. I. The unsubstituted molecule
inferredcites →https://doi.org/10.1063/1.466812openalex-snapshot
Multiconfigurational self-consistent field calculations of nuclear shieldings using London atomic orbitals
inferredcites →https://doi.org/10.1063/1.467505openalex-snapshot
Study of the electronic states of the benzene molecule using spin-coupled valence bond theory
inferredcites →https://doi.org/10.1063/1.468025openalex-snapshot
A multireference coupled-cluster study of the ground state and lowest excited states of cyclobutadiene
inferredcites →https://doi.org/10.1063/1.470928openalex-snapshot
Calculation of nuclear magnetic resonance shieldings and magnetic susceptibilities using multiconfiguration Hartree–Fock wave functions and local gauge origins
inferredcites →https://doi.org/10.1080/00268970050032792openalex-snapshot
Ring currents in six-membered heterocycles: the diazaborinines (CH)2B2N2
inferredcites →https://doi.org/10.1139/p74-256openalex-snapshot
The ν4 Vibration–Rotation Bands of C6H6 and C6D6: The Analysis of the Bands and the Determination of the Bond Lengths
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.12688/openreseurope.19690.1zenodo-depositor-declared
Concealed antiaromaticity
inferred← citeshttps://doi.org/10.1002/9781119085928.ch2openalex-snapshot
Simple Electron Counting Rules
inferred← citeshttps://doi.org/10.1002/ange.201603631openalex-snapshot
A Description of Vibrational Modes in Hexaphyrins: Understanding the Aromaticity Reversal in the Lowest Triplet State
inferred← citeshttps://doi.org/10.1002/ange.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
inferred← citeshttps://doi.org/10.1002/ange.201705228openalex-snapshot
Spectroscopic Observation of the Triplet Diradical State of a Cyclobutadiene
inferred← citeshttps://doi.org/10.1002/ange.202001934openalex-snapshot
Can Anti‐Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”
inferred← citeshttps://doi.org/10.1002/ange.202015274openalex-snapshot
Broadening the Horizon of the Bell–Evans–Polanyi Principle towards Optically Triggered Structure Planarization
inferred← citeshttps://doi.org/10.1002/ange.202100261openalex-snapshot
Guidelines for Tuning the Excited State Hückel–Baird Hybrid Aromatic Character of Pro‐Aromatic Quinoidal Compounds**
inferred← citeshttps://doi.org/10.1002/ange.202106490openalex-snapshot
An Element‐Substituted Cyclobutadiene Exhibiting High‐Energy Blue Phosphorescence
inferred← citeshttps://doi.org/10.1002/ange.202218156openalex-snapshot
Symmetry‐Induced Singlet‐Triplet Inversions in Non‐Alternant Hydrocarbons**
inferred← citeshttps://doi.org/10.1002/ange.202500627openalex-snapshot
Basizität im angeregten Zustand verändert die Selektivität der aromatischen Deuterierung: Anwendung auf die Late‐Stage Markierung von Pharmazeutika
inferred← citeshttps://doi.org/10.1002/ange.6799620openalex-snapshot
Excited‐State Antiaromaticity in Nonbenzenoid Aromatics: Examining the Dynamics of Intramolecular Proton Transfer With a Small Driving Force
inferred← citeshttps://doi.org/10.1002/anie.201603631openalex-snapshot
A Description of Vibrational Modes in Hexaphyrins: Understanding the Aromaticity Reversal in the Lowest Triplet State
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1002/anie.201705228openalex-snapshot
Spectroscopic Observation of the Triplet Diradical State of a Cyclobutadiene
inferred← citeshttps://doi.org/10.1002/anie.202001934openalex-snapshot
Can Anti‐Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”
inferred← citeshttps://doi.org/10.1002/anie.202015274openalex-snapshot
Broadening the Horizon of the Bell–Evans–Polanyi Principle towards Optically Triggered Structure Planarization
inferred← citeshttps://doi.org/10.1002/anie.202100261openalex-snapshot
Guidelines for Tuning the Excited State Hückel–Baird Hybrid Aromatic Character of Pro‐Aromatic Quinoidal Compounds**
inferred← citeshttps://doi.org/10.1002/anie.202106490openalex-snapshot
An Element‐Substituted Cyclobutadiene Exhibiting High‐Energy Blue Phosphorescence
inferred← citeshttps://doi.org/10.1002/anie.202218156openalex-snapshot
Symmetry‐Induced Singlet‐Triplet Inversions in Non‐Alternant Hydrocarbons**
inferred← citeshttps://doi.org/10.1002/anie.202500627openalex-snapshot
Excited‐State Basicity Diverts the Site‐Selectivity of Aromatic Deuteration: Application to the Late‐Stage Labeling of Pharmaceuticals
inferred← citeshttps://doi.org/10.1002/anie.6799620openalex-snapshot
Excited‐State Antiaromaticity in Nonbenzenoid Aromatics: Examining the Dynamics of Intramolecular Proton Transfer With a Small Driving Force
inferred← citeshttps://doi.org/10.1002/asia.201500897openalex-snapshot
Triplet State Aromaticity: NICS Criterion, Hyperconjugation, and Charge Effects
inferred← citeshttps://doi.org/10.1002/asia.201801821openalex-snapshot
Exploiting the Aromatic Chameleon Character of Fulvenes for Computational Design of Baird‐Aromatic Triplet Ground State Compounds
inferred← citeshttps://doi.org/10.1002/asia.202101261openalex-snapshot
Revival of Hückel Aromatic (Poly)benzenoid Subunits in Triplet State Polycyclic Aromatic Hydrocarbons by Silicon Substitution
inferred← citeshttps://doi.org/10.1002/chem.201300008openalex-snapshot
Aromaticity Effects on the Profiles of the Lowest Triplet‐State Potential‐Energy Surfaces for Rotation about the CC Bonds of Olefins with Five‐Membered Ring Substituents: An Example of the Impact of Baird’s Rule
inferred← citeshttps://doi.org/10.1002/chem.201402577openalex-snapshot
Impact of Ground‐ and Excited‐State Aromaticity on Cyclopentadiene and Silole Excitation Energies and Excited‐State Polarities
inferred← citeshttps://doi.org/10.1002/chem.201503187openalex-snapshot
A Computational and Experimental Study of Thieno[3,4‐b]thiophene as a Proaromatic π‐Bridge in Dye‐Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1002/chem.201504924openalex-snapshot
Analysis of a Compound Class with Triplet States Stabilized by Potentially Baird Aromatic [10]Annulenyl Dicationic Rings
inferred← citeshttps://doi.org/10.1002/chem.201701404openalex-snapshot
Cyclopropyl Group: An Excited‐State Aromaticity Indicator?
inferred← citeshttps://doi.org/10.1002/chem.201703051openalex-snapshot
Magnetic Shielding Studies of C2 and C2H2 Support Higher than Triple Bond Multiplicity in C2
inferred← citeshttps://doi.org/10.1002/chem.201804292openalex-snapshot
Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low‐Lying Electronic States of S2N2
inferred← citeshttps://doi.org/10.1002/chem.201901845openalex-snapshot
A DFT Study of the Modulation of the Antiaromatic and Open‐Shell Character of Dibenzo[a,f]pentalene by Employing Three Strategies: Additional Benzoannulation, BN/CC Isosterism, and Substitution
inferred← citeshttps://doi.org/10.1002/chem.202004244openalex-snapshot
Dithieno[a,e]pentalenes: Highly Antiaromatic Yet Stable π‐Electron Systems without Bulky Substituents
inferred← citeshttps://doi.org/10.1002/chem.202005248openalex-snapshot
Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet–Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs
inferred← citeshttps://doi.org/10.1002/chem.202102351openalex-snapshot
Rethinking Uncaging: A New Antiaromatic Photocage Driven by a Gain of Resonance Energy
inferred← citeshttps://doi.org/10.1002/chem.202103122openalex-snapshot
Thiophene‐Fused 1,4‐Diazapentalene: A Stable C=N‐Containing π‐Conjugated System with Restored Antiaromaticity
inferred← citeshttps://doi.org/10.1002/chem.202103896openalex-snapshot
Thiophene‐Fused 1,4‐Diazapentalene: A Stable C=N‐Containing π‐Conjugated System with Restored Antiaromaticity
inferred← citeshttps://doi.org/10.1002/chem.202203748openalex-snapshot
Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief
inferred← citeshttps://doi.org/10.1002/chem.202303724openalex-snapshot
Aromaticity in the Electronic Ground and Lowest Triplet States of Molecules with Fused Thiophene Rings
inferred← citeshttps://doi.org/10.1002/chem.202503557openalex-snapshot
Insights Into Symmetry and Substitution Patterns Governing Singlet–Triplet Energy Gap in the Chemical Space of Azaphenalenes
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/cphc.201500885openalex-snapshot
The Nature of the Singlet and Triplet States of Cyclobutadiene as Revealed by Quantum Interference
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.202200045openalex-snapshot
Retaining Hückel Aromaticity in the Triplet Excited State of Azobenzene
inferred← citeshttps://doi.org/10.1002/cphc.202300038openalex-snapshot
How Different are the Diamagnetic and Paramagnetic Contributions to Off‐Nucleus Shielding in Aromatic and Antiaromatic Rings?
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.202400758openalex-snapshot
Aromaticity and Antiaromaticity Reversals between the Electronic Ground State and the Two Lowest Triplet States of Thiophene
inferred← citeshttps://doi.org/10.1002/cphc.202500335openalex-snapshot
Excited State Aromaticity Unveiled by Electron Localization Function Topology
inferred← citeshttps://doi.org/10.1002/cplu.201800307openalex-snapshot
Molecular Photoswitching Aided by Excited‐State Aromaticity
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.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/cptc.202300291openalex-snapshot
Intra and interatomic energy contributions in the photophysical relaxation of small aromatic molecules
inferred← citeshttps://doi.org/10.1002/cptc.202400418openalex-snapshot
Simultaneous Optimization of Both Electrocyclization and Cycloreversion Reactions of Diarylethene Photoswitches for Solar‐Energy Storage
inferred← citeshttps://doi.org/10.1002/ejoc.201301810openalex-snapshot
Evaluation of Triplet Aromaticity by the Indene–Isoindene Isomerization Stabilization Energy Method
inferred← citeshttps://doi.org/10.1002/ejoc.201700959openalex-snapshot
4π‐Electron B–N Monocycles: Stability and (Anti)aromaticity
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/jcc.23630openalex-snapshot
Cyclobutadiene automerization and rotation of ethylene: Energetics of the barriers by using Spin‐polarized wave functions
inferred← citeshttps://doi.org/10.1002/jcc.26769openalex-snapshot
Analysis in silico of chemical reactivity employing the local hyper‐softness in some classic aromatic compounds, boron aromatic clusters and all‐metal aromatic clusters
inferred← citeshttps://doi.org/10.1002/poc.4434openalex-snapshot
Aromaticity study of singlet‐ and triplet‐state corannulene dianion and dication
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.4455openalex-snapshot
Azaboracyclooctatetraenes reveal that the different aspects of triplet state Baird‐aromaticity are nothing but different
inferred← citeshttps://doi.org/10.1002/poc.4456openalex-snapshot
Understanding photoenolization of O‐methyl acetophenone, and its subsequent [4 + 2] and 1,4 addition of its photoproduct from an aromaticity perspective
inferred← citeshttps://doi.org/10.1002/poc.70012openalex-snapshot
Polybenzenoid Hydrocarbons in the S 1 State: Simple Structural Motifs Predict Electronic Properties and (Anti)aromaticity
inferred← citeshttps://doi.org/10.1002/qua.22222openalex-snapshot
Aromaticity of ionic structures: Investigation and application of NICS value and 4n + 2 rule
inferred← citeshttps://doi.org/10.1002/qua.22510openalex-snapshot
Quantum fidelity for analyzing atoms and fragments in molecule: Application to similarity, chirality, and aromaticity
inferred← citeshttps://doi.org/10.1002/slct.201601535openalex-snapshot
The Nature of the Chemical Bond from a Quantum Mechanical Interference Perspective
inferred← citeshttps://doi.org/10.1002/slct.201601911openalex-snapshot
Prediction and Characterization of Alkaline‐Earth (M=Be, Mg, Ca, Sr, and Ba) Metallacyclopentadienes and Relevant Derivatives
inferred← citeshttps://doi.org/10.1002/slct.202303274openalex-snapshot
Gauging the Aromatic, Antiaromatic, and Nonaromatic Character of the Dications and Dianions Derived from Fused Carbocyclic and Heterocyclic Compounds ǂ
inferred← citeshttps://doi.org/10.1002/slct.202506584openalex-snapshot
Exploring Triplet Aromaticity in Azaboracyclooctatetraenes Using New Descriptors Based on Electron Density Partitioning
inferred← citeshttps://doi.org/10.1002/wcms.1404openalex-snapshot
Connecting and combining rules of aromaticity. Towards a unified theory of aromaticity
inferred← citeshttps://doi.org/10.1007/s00214-011-0941-9openalex-snapshot
Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules
inferred← citeshttps://doi.org/10.1007/s00214-016-1855-3openalex-snapshot
Bond formation, electronic structure, and energy storage properties on polyoxometalate–carbon nanocomposites
inferred← citeshttps://doi.org/10.1007/s00214-019-2537-8openalex-snapshot
Adaptive aromaticity in ruthenacycles
inferred← citeshttps://doi.org/10.1007/s00214-023-02989-8openalex-snapshot
Structure-aromaticity-spectroscopy relationship in conjugated polymers
inferred← citeshttps://doi.org/10.1007/s00894-023-05498-4openalex-snapshot
Quadripartite bond length rule applied to two prototypical aromatic and antiaromatic molecules
inferred← citeshttps://doi.org/10.1007/s11182-025-03585-yopenalex-snapshot
Low-lying singlet excited-state aromaticity of porphin
inferred← citeshttps://doi.org/10.1007/s11224-016-0882-yopenalex-snapshot
An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivatives
inferred← citeshttps://doi.org/10.1007/s11224-017-0995-yopenalex-snapshot
Electronic properties and aromaticity of substituted diphenylfulvenes in the ground (S0) and excited (T1) states
inferred← citeshttps://doi.org/10.1007/s12039-023-02230-wopenalex-snapshot
Peripheral (anti)aromaticity in the singlet and triplet states of cyclopenta[fg]acenaphthylene, pyrrolo[2,1,5-cd]indolizine and 2a1 boracyclopenta[cd]indene: NICS scan approach
inferred← citeshttps://doi.org/10.1016/b978-0-08-089054-8.00001-0openalex-snapshot
Magnetic Resonance of Systems with Equivalent Spin-1/2 Nuclides
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00053-2openalex-snapshot
Classification and Analysis of Molecular Excited States
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00061-1openalex-snapshot
Aromaticity: Types, Rules, and Quantification
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00149-5openalex-snapshot
Geometry-Based Electronic Models for Aromaticity of Atomic Clusters
inferred← citeshttps://doi.org/10.1016/b978-0-12-822723-7.00010-8openalex-snapshot
Antiaromatic compounds: a brief history, applications, and the many ways they escape antiaromaticity
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/bs.aihch.2026.03.001openalex-snapshot
Hetero-antiaromatics: 1,3,2,4-Benzodithiadiazines and related compounds
inferred← citeshttps://doi.org/10.1016/bs.arnmr.2022.07.001openalex-snapshot
Off-nucleus magnetic shielding: Theory and applications
inferred← citeshttps://doi.org/10.1016/j.apsusc.2012.11.026openalex-snapshot
Reaction mechanism for methanol oxidation on Au(111): A density functional theory study
inferred← citeshttps://doi.org/10.1016/j.chempr.2017.09.005openalex-snapshot
Unraveling Excited-Singlet-State Aromaticity via Vibrational Analysis
inferred← citeshttps://doi.org/10.1016/j.chempr.2018.03.020openalex-snapshot
Macrocyclic Polyradicaloids with Unusual Super-ring Structure and Global Aromaticity
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.12.040openalex-snapshot
Spherical aromaticity in C-, Si-, and Ge-containing compounds
inferred← citeshttps://doi.org/10.1016/j.comptc.2017.01.003openalex-snapshot
Modern valence-bond descriptions of polycyclic fused aromatic compounds involving cyclopropenyl rings
inferred← citeshttps://doi.org/10.1016/j.cplett.2014.01.051openalex-snapshot
The degeneracy of the Hessian eigenvalues of the π-electron density: A new manifestation of aromaticity
inferred← citeshttps://doi.org/10.1016/j.cplett.2018.09.028openalex-snapshot
The transition state of the automerization reaction of cyclobutadiene: A theoretical approach using the Restricted Active Space Self Consistent Field method
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.03.051openalex-snapshot
The 13C nuclear magnetic shielding constants at the singlet excited states in CH2CCH2, CH2O, CH3CHO, CH3NH2, and CO
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.138065openalex-snapshot
Towards understanding metal aromaticity in different spin states: A density functional theory and information-theoretic approach analysis
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2019.09.099openalex-snapshot
Dehydrocyclization of diamine borane and amine-borane alcohol catalyzed by 1-lithio-2-alkyl-1,2-dihydropyridine and its Na & K analogues: A DFT analysis of the reaction mechanism
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2008.12.134openalex-snapshot
A DFT study on nitrotriazines
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2018.01.038openalex-snapshot
Direct energetic evaluation of aromaticity by cleaving the rings of cyclic compounds
inferred← citeshttps://doi.org/10.1016/j.nxmate.2026.101963openalex-snapshot
Stabilization of gold nanoparticles by thiolated tridentate nitrogen donor ligands and investigation of their DNA binding properties
inferred← citeshttps://doi.org/10.1016/j.tet.2013.06.072openalex-snapshot
A theoretical study on the aromaticity of benzene and related derivatives incorporating a C–C C–C fragment
inferred← citeshttps://doi.org/10.1016/j.tet.2014.12.058openalex-snapshot
Aromatic behaviour of benzene and naphthalene upon pnictogen substitution
inferred← citeshttps://doi.org/10.1016/j.tet.2016.06.050openalex-snapshot
Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacement
inferred← citeshttps://doi.org/10.1016/j.tetlet.2017.11.048openalex-snapshot
Topics of 1,3-diphosphacyclobutane-2,4-diyl derivatives: Structural aspects and functionality of isolable heavier congeners of cyclobutane-1,3-diyl and the related molecules
inferred← citeshttps://doi.org/10.1021/acs.accounts.3c00605openalex-snapshot
Small is Beautiful: Electronic Origin and Synthetic Evolution of Single-Benzene Fluorophores
inferred← citeshttps://doi.org/10.1021/acs.accounts.7b00629openalex-snapshot
Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal
inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00313openalex-snapshot
Control and Switching of Aromaticity in Various All-Aza-Expanded Porphyrins: Spectroscopic and Theoretical Analyses
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c01029openalex-snapshot
Aromaticity of Osmaacenes in Their Lowest-Lying Singlet and Triplet States
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00074openalex-snapshot
Spin-Conserved and Spin-Flip Optical Excitations from the Bethe–Salpeter Equation Formalism
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00284openalex-snapshot
Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01058openalex-snapshot
Visualizing Electronic Vibrations on the Wave Function Tiles of the Low-Lying Singlet Excited States of Benzene
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c00215openalex-snapshot
Unified MPI Parallelization of Wave Function Methods: iCIPT2 as a Showcase
inferred← citeshttps://doi.org/10.1021/acs.joc.2c01172openalex-snapshot
Modulating the Photocyclization Reactivity of Diarylethenes through Changes in the Excited-State Aromaticity of the π-Linker
inferred← citeshttps://doi.org/10.1021/acs.joc.4c02475openalex-snapshot
HOMAc: A Parameterization of the Harmonic Oscillator Model of Aromaticity (HOMA) That Includes Antiaromaticity
inferred← citeshttps://doi.org/10.1021/acs.joc.5b01010openalex-snapshot
Shielding in and around Oxazole, Imidazole, and Thiazole: How Does the Second Heteroatom Affect Aromaticity and Bonding?
inferred← citeshttps://doi.org/10.1021/acs.joc.5c00578openalex-snapshot
Toward a Systematics for the Lowest Excited States of Heteroaromatics Enabled via Cyclic π-Conjugated Carbenes and Heteroelement Analogues
inferred← citeshttps://doi.org/10.1021/acs.joc.6b01261openalex-snapshot
Effect of Ring Size and Migratory Groups on [1, n ] Suprafacial Shift Reactions. Confirmation of Aromatic and Antiaromatic Transition-State Character by Ring-Current Analysis
inferred← citeshttps://doi.org/10.1021/acs.joc.6b01761openalex-snapshot
Quantitative Assessment of Aromaticity and Antiaromaticity Utilizing Vibrational Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.joc.6b02460openalex-snapshot
Magnetic Shielding, Aromaticity, Antiaromaticity, and Bonding in the Low-Lying Electronic States of Benzene and Cyclobutadiene
inferred← citeshttps://doi.org/10.1021/acs.joc.7b00906openalex-snapshot
Can Baird’s and Clar’s Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4 n π- and (4 n + 2)π-Rings?
inferred← citeshttps://doi.org/10.1021/acs.joc.9b01858openalex-snapshot
Triplet-State Structures, Energies, and Antiaromaticity of BN Analogues of Benzene and Their Benzo-Fused Derivatives
inferred← citeshttps://doi.org/10.1021/acs.joc.9b03472openalex-snapshot
Substituent Effect on Triplet State Aromaticity of Benzene
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c08594openalex-snapshot
Excited-State Aromaticity Reversals in Möbius Annulenes
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.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.2c07949openalex-snapshot
Advances in Parallel Heat Bath Configuration Interaction
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c00485openalex-snapshot
Excited-State Aromaticity Reversals in Naphthalene and Anthracene
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c03041openalex-snapshot
Tubular Magnetic Shielding Scan (TMSS): A New Technique for Molecular Space Exploration. (i) The Case of Aromaticity of Benzene and [ n ]Paracyclophanes
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c06745openalex-snapshot
Distinguishing Aromaticity from Antiaromaticity with Information-Theoretic and Energetic Information Quantities and Their Links to Molecular Properties
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b11684openalex-snapshot
Excited-State Intramolecular Proton Transfer and Global Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.jpca.6c03023openalex-snapshot
Zinc-Group Element-Stabilized Boron Analogues of Cyclopropenyl Cation Featuring π Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.jpca.6c03758openalex-snapshot
E2(η6–Be6H6) (E = Si–Pb): Doubly Aromatic Inverse-Sandwich Complexes
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b09056openalex-snapshot
Electrostatic Topographical Viewpoint of π-Conjugation and Aromaticity of Hydrocarbons
inferred← citeshttps://doi.org/10.1021/acs.jpclett.1c01848openalex-snapshot
Threshold Photoelectron Spectrum of Cyclobutadiene: Comparison with Time-Dependent Wavepacket Simulations
inferred← citeshttps://doi.org/10.1021/acs.jpclett.1c01908openalex-snapshot
Benzene Excimer and Excited Multimers: Electronic Character, Interaction Nature, and Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.jpclett.3c03524openalex-snapshot
Bottom-Up Formation of Antiaromatic Cyclobutadiene (c-C4H4) in Interstellar Ice Analogs
inferred← citeshttps://doi.org/10.1021/acs.orglett.0c03254openalex-snapshot
Norcorrole: Aromaticity and Antiaromaticity in Contest
inferred← citeshttps://doi.org/10.1021/acs.orglett.7b02257openalex-snapshot
Excited-State Aromaticity Improves Molecular Motors: A Computational Analysis
inferred← citeshttps://doi.org/10.1021/cr100228ropenalex-snapshot
Classical Valence Bond Approach by Modern Methods
inferred← citeshttps://doi.org/10.1021/cr300471vopenalex-snapshot
Excited State Aromaticity and Antiaromaticity: Opportunities for Photophysical and Photochemical Rationalizations
inferred← citeshttps://doi.org/10.1021/ct3011198openalex-snapshot
Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals
inferred← citeshttps://doi.org/10.1021/ic400290aopenalex-snapshot
Open-Shell Triplet Character of #6094C68: Spherical Aromaticity, Thermodynamic Stability, and Regioselective Chlorination
inferred← citeshttps://doi.org/10.1021/ja200462yopenalex-snapshot
An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene
inferred← citeshttps://doi.org/10.1021/ja206193topenalex-snapshot
Correlated Electron Dynamics: How Aromaticity Can Be Controlled
inferred← citeshttps://doi.org/10.1021/jacs.0c06327openalex-snapshot
Photoinduced Changes in Aromaticity Facilitate Electrocyclization of Dithienylbenzene Switches
inferred← citeshttps://doi.org/10.1021/jacs.1c09324openalex-snapshot
Barrier-Lowering Effects of Baird Antiaromaticity in Photoinduced Proton-Coupled Electron Transfer (PCET) Reactions
inferred← citeshttps://doi.org/10.1021/jacs.1c12610openalex-snapshot
Interplay of Steric Effects and Aromaticity Reversals to Expand the Structural/Electronic Responses of Dihydrophenazines
inferred← citeshttps://doi.org/10.1021/jacs.4c18623openalex-snapshot
Excited-State Aromatization Drives Nonequilibrium Planarization Dynamics
inferred← citeshttps://doi.org/10.1021/jacs.5b04047openalex-snapshot
Switching between Aromatic and Antiaromatic 1,3-Phenylene-Strapped [26]- and [28]Hexaphyrins upon Passage to the Singlet Excited State
inferred← citeshttps://doi.org/10.1021/jacs.9b13769openalex-snapshot
Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes
inferred← citeshttps://doi.org/10.1021/jo401853zopenalex-snapshot
Aromatic Stabilization Energy and Magnetic Properties in Fulvalenes: Is There a Connection Between These Two Aromaticity Indices?
inferred← citeshttps://doi.org/10.1021/jo500098hopenalex-snapshot
σ-Aromaticity in Hexa-Group 16 Atom-Substituted Benzene Dications: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/jo9025868openalex-snapshot
Proton and Hydride Affinities in Excited States: Magnitude Reversals in Proton and Hydride Affinities between the Lowest Singlet and Triplet States of Annulenyl and Benzannulenyl Anions and Cations
inferred← citeshttps://doi.org/10.1021/jp101963popenalex-snapshot
Effects of Cyano Substituents on Cyclobutadiene and Its Isomers
inferred← citeshttps://doi.org/10.1021/jp2041907openalex-snapshot
New Way of Describing Static and Dynamic Deformations of the Jahn–Teller Type in Ring Molecules
inferred← citeshttps://doi.org/10.1021/jp2099202openalex-snapshot
Effects of Ethynyl Substituents on the Electronic Structure of Cyclobutadiene
inferred← citeshttps://doi.org/10.1021/jp3032397openalex-snapshot
Exploration of the π-Electronic Structure of Singlet, Triplet, and Quintet States of Fulvenes and Fulvalenes Using the Electron Localization Function
inferred← citeshttps://doi.org/10.1021/jp311536copenalex-snapshot
Magnetic Shielding in and around Benzene and Cyclobutadiene: A Source of Information about Aromaticity, Antiaromaticity, and Chemical Bonding
inferred← citeshttps://doi.org/10.1021/jp8067365openalex-snapshot
Aromaticity and Antiaromaticity in the Low-Lying Electronic States of Cyclooctatetraene
inferred← citeshttps://doi.org/10.1021/jp9008916openalex-snapshot
Probing the Strength Changes in C−H and C−C Bonds for Cation/π Complexes
inferred← citeshttps://doi.org/10.1021/jp904335jopenalex-snapshot
Aromaticity Changes along the Lowest-Triplet-State Path for C═C Bond Rotation of Annulenyl-Substituted Olefins Probed by the Electron Localization Function
inferred← citeshttps://doi.org/10.1021/ol400908zopenalex-snapshot
Evaluation of Triplet Aromaticity by the Isomerization Stabilization Energy
inferred← citeshttps://doi.org/10.1021/om500545aopenalex-snapshot
Mechanistic Study of the Photochemical Isomerization Reactions of Silabenzene
inferred← citeshttps://doi.org/10.1038/nchem.1518openalex-snapshot
Exciting excited-state aromaticity
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1038/nchem.2242openalex-snapshot
A light-switched yin and yang pair
inferred← citeshttps://doi.org/10.1038/ncomms12962openalex-snapshot
Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene
inferred← citeshttps://doi.org/10.1038/s41467-017-00382-1openalex-snapshot
Energetics of Baird aromaticity supported by inversion of photoexcited chiral [4n]annulene derivatives
inferred← citeshttps://doi.org/10.1038/s41467-019-10818-5openalex-snapshot
Non-aromatic annulene-based aggregation-induced emission system via aromaticity reversal process
inferred← citeshttps://doi.org/10.1038/s41467-019-12986-wopenalex-snapshot
Two-electron transfer stabilized by excited-state aromatization
inferred← citeshttps://doi.org/10.1038/s41467-024-46853-0openalex-snapshot
Ultra-photostable small-molecule dyes facilitate near-infrared biophotonics
inferred← citeshttps://doi.org/10.1038/s41570-026-00877-wopenalex-snapshot
The concept of aromaticity after 200 years of benzene
inferred← citeshttps://doi.org/10.1038/s42004-018-0018-yopenalex-snapshot
Adaptive aromaticity in S0 and T1 states of pentalene incorporating 16 valence electron osmium
inferred← citeshttps://doi.org/10.1039/b903677fopenalex-snapshot
Efficiency of the NICSzz-scan curves to probe the antiaromaticity of organic and inorganic rings/cages
inferred← citeshttps://doi.org/10.1039/c0cp02821eopenalex-snapshot
Influence of excited state aromaticity in the lowest excited singlet states of fulvene derivatives
inferred← citeshttps://doi.org/10.1039/c1cc14958jopenalex-snapshot
Open-shell spherical aromaticity: the 2N2 + 2N + 1 (with S = N + ½) rule
inferred← citeshttps://doi.org/10.1039/c1cp21812copenalex-snapshot
The gauge including magnetically induced current method
inferred← citeshttps://doi.org/10.1039/c1cp22239bopenalex-snapshot
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds
inferred← citeshttps://doi.org/10.1039/c4fd00084fopenalex-snapshot
A computational study of potential molecular switches that exploit Baird's rule on excited-state aromaticity and antiaromaticity
inferred← citeshttps://doi.org/10.1039/c5cp01310kopenalex-snapshot
Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicals
inferred← citeshttps://doi.org/10.1039/c5cp07011bopenalex-snapshot
Octahedral aromaticity in 2S+1 A 1g X 6 q clusters (X = Li–C and Be–Si, S = 0–3, and q = −2 to +4)
inferred← citeshttps://doi.org/10.1039/c5cs00057bopenalex-snapshot
The excited state antiaromatic benzene ring: a molecular Mr Hyde?
inferred← citeshttps://doi.org/10.1039/c6cp03789eopenalex-snapshot
Deciphering the cryptic role of a catalytic electron in a photochemical bond dissociation using excited state aromaticity markers
inferred← citeshttps://doi.org/10.1039/c6cp08563fopenalex-snapshot
A new architecture for high spin organics based on Baird's rule of 4n electron triplet aromatics
inferred← citeshttps://doi.org/10.1039/c7cp03544fopenalex-snapshot
Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theory
inferred← citeshttps://doi.org/10.1039/c7tc02336gopenalex-snapshot
1,4-Azaborine as a controller of triplet energy, exciton distribution, and aromaticity in [6]cycloparaphenylenes
inferred← citeshttps://doi.org/10.1039/c8cp07875kopenalex-snapshot
The effect of two types of dibenzoannulation of pentalene on molecular energies and magnetically induced currents
inferred← citeshttps://doi.org/10.1039/c9cp02050kopenalex-snapshot
Demonstration of Baird's rule complementarity in the singlet state with implications for excited-state intramolecular proton transfer
inferred← citeshttps://doi.org/10.1039/d0cc02952aopenalex-snapshot
How does excited-state antiaromaticity affect the acidity strengths of photoacids?
inferred← citeshttps://doi.org/10.1039/d0cs01354dopenalex-snapshot
Heavier element-containing aromatics of [4 n +2]-electron systems
inferred← citeshttps://doi.org/10.1039/d0sc02294bopenalex-snapshot
Electron-driven proton transfer relieves excited-state antiaromaticity in photoexcited DNA base pairs
inferred← citeshttps://doi.org/10.1039/d1cc03701copenalex-snapshot
Magnetic shielding paints an accurate and easy-to-visualize portrait of aromaticity
inferred← citeshttps://doi.org/10.1039/d1cp04394copenalex-snapshot
Aromaticity reversals and their effect on bonding in the low-lying electronic states of cyclooctatetraene
inferred← citeshttps://doi.org/10.1039/d1cp05292fopenalex-snapshot
A long-lived fluorenyl cation: efficiency booster for uncaging and photobase properties
inferred← citeshttps://doi.org/10.1039/d1cs00742dopenalex-snapshot
Porphyrinoids, a unique platform for exploring excited-state aromaticity
showing the first 200 of 249 · page through all 249
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.