On the public citation graph

Definition of a multicenter bond index

https://doi.org/10.1007/bf00671228
0 signed · 317 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.
Claim with ORCID
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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/qua.560190606openalex-snapshot
Comments on the status of the chemical bond in methods of quantum chemistry
inferredcites →https://doi.org/10.1002/qua.560210403openalex-snapshot
Charge transfer and induced polarization in model peptide–ion complexes
inferredcites →https://doi.org/10.1002/qua.560260510openalex-snapshot
The concept of the chemical bond
inferredcites →https://doi.org/10.1007/bf00526510openalex-snapshot
SCF LCGO MO studies on the fluoronium ion FH 2 + and its hydrogen bonding interaction with hydrogen fluoride FH
inferredcites →https://doi.org/10.1007/bf00528559openalex-snapshot
SCF-MO-LCGO studies on hydrogen bonding. The water dimer
inferredcites →https://doi.org/10.1007/bf00547748openalex-snapshot
A MO-theoretical study of the hydrogen bond in (HCOOH)2, (HCONH2)2 and (B(OH)3)2
inferredcites →https://doi.org/10.1007/bf00548292openalex-snapshot
SCF-CI studies of the equilibrium structure and the proton transfer barrier H3O 2 ?
inferredcites →https://doi.org/10.1016/0009-2614(70)85108-9openalex-snapshot
SCF MO LCGO studies on hydrogen bonding.
inferredcites →https://doi.org/10.1016/0009-2614(70)85181-8openalex-snapshot
SCF MO LCGO studies of hydrogen bonding: The hydrogen fluoride dimer
inferredcites →https://doi.org/10.1016/0009-2614(79)80304-8openalex-snapshot
Defining the bond energy of a strong hydrogen bond
inferredcites →https://doi.org/10.1016/0009-2614(79)80499-6openalex-snapshot
Is the carboxylic acid-fluoride bond really the strongest type of hydrogen bond?
inferredcites →https://doi.org/10.1016/0009-2614(86)80360-8openalex-snapshot
Remarks about the definition of a bond index
inferredcites →https://doi.org/10.1016/0022-2852(59)90042-6openalex-snapshot
The overlapping hydrogen fluoride monomer-dimer spectra
inferredcites →https://doi.org/10.1016/0040-4020(68)88057-3openalex-snapshot
Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane
inferredcites →https://doi.org/10.1016/0166-1280(83)87001-8openalex-snapshot
A symmetrical bridged hydrogen bond in organic compounds
inferredcites →https://doi.org/10.1016/0166-1280(88)80006-xopenalex-snapshot
Ab initio valence bond studies for formamide
inferredcites →https://doi.org/10.1016/0166-1280(88)80091-5openalex-snapshot
Mollesse d'un atome dans une molecule et definition de la mollesse d'un groupement fonctionnel: Une echelle LCAO
inferredcites →https://doi.org/10.1016/0166-1280(89)80028-4openalex-snapshot
Force density method for chemical bond characterization
inferredcites →https://doi.org/10.1021/ja00259a006openalex-snapshot
Ab initio calculation of the electron density of tetraazatetraoxatricyclotetradecane: an explanation for the deficiency of charge density in certain covalent bonds
inferredcites →https://doi.org/10.1021/ja00362a007openalex-snapshot
The absence of bonding electron density in certain covalent bonds as revealed by x-ray analysis
inferredcites →https://doi.org/10.1021/ja00368a001openalex-snapshot
Quantum chemical and statistical thermodynamic investigations of anesthetic activity. 2. The interaction between chloroform, fluoroform, and an NH...O:C hydrogen bond
inferredcites →https://doi.org/10.1021/ja00391a005openalex-snapshot
An unexpectedly strong hydrogen bond: ab initio calculations and spectroscopic studies of amide-fluoride systems
inferredcites →https://doi.org/10.1021/ja00463a002openalex-snapshot
Apparent octet rule violations, fractionality, and the interpretation of localized molecular orbital structures. Polarization and hybridization functions in chemical bonding
inferredcites →https://doi.org/10.1021/ja00479a008openalex-snapshot
Ab initio calculations on the very strong hydrogen bond of the biformate anion and comparative esterification studies
inferredcites →https://doi.org/10.1021/ja00494a005openalex-snapshot
"Increased valence" when the octet rule is obeyed. A reply to a challenge
inferredcites →https://doi.org/10.1021/ja00536a013openalex-snapshot
Pauling "3-electron bonds", "increased-valence", and 6-electron 4-center bonding
inferredcites →https://doi.org/10.1021/ja00839a007openalex-snapshot
Localized orbital studies of hydrogen bonding. II. Dimers containing water, ammonia, hydrofluoric acid, formaldehyde, and hydrocyanic acid
inferredcites →https://doi.org/10.1021/ja01029a057openalex-snapshot
Bond index description of delocalization
inferredcites →https://doi.org/10.1039/c39770000225openalex-snapshot
The strongest hydrogen-bond? Ab initio-LCAO-MO-SCF calculations
inferredcites →https://doi.org/10.1039/dt9730002273openalex-snapshot
Valencies and bond indices for the elements from hydrogen to chlorine
inferredcites →https://doi.org/10.1051/jcp/1975720015openalex-snapshot
Sur la définition d’un indice de liaison (TEV) pour des bases non orthogonales. Propriétés et applications
inferredcites →https://doi.org/10.1098/rspa.1950.0053openalex-snapshot
The electronic structure of conjugated systems. VI
inferredcites →https://doi.org/10.1515/zna-1984-1220openalex-snapshot
Some Considerations About Bond Indices in Non-orthogonal Bases and the MO Calculation of Valence and Oxidation Number

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.4786391openalex-extracted
Tailoring Refractive Index Dispersion in Ionic Liquids: The Influence of Charge Delocalization in Cations
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1996)60:1<553::aid-qua54>3.0.co;2-8openalex-snapshot
Increased-valence structures and hypervalent molecules
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1996)60:1<75::aid-qua8>3.0.co;2-2openalex-snapshot
Population analysis of pair densities: A new way of visualization of molecular structure
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(2000)77:4<710::aid-qua3>3.0.co;2-xopenalex-snapshot
Multicenter bonding in open-shell systems. A nonlinear population analysis approach
inferred← citeshttps://doi.org/10.1002/9781119085928.ch8openalex-snapshot
Descriptors of Aromaticity: Electronic Criteria
inferred← citeshttps://doi.org/10.1002/9783527843435.ch18openalex-snapshot
Chemical Concepts in Solids
inferred← citeshttps://doi.org/10.1002/ange.202009644openalex-snapshot
Stabilisierung planarer Cyclopenten‐4‐yl‐Kationen durch Hyperkonjugation und π‐Delokalisierung
inferred← citeshttps://doi.org/10.1002/ange.202115778openalex-snapshot
Orbitale als Ausgangspunkt der Chemischen Bindung in Ge−Sb−Te‐Phasenwechselmaterialien**
inferred← citeshttps://doi.org/10.1002/ange.202205159openalex-snapshot
Catalytic Atroposelective Electrophilic Amination of Indoles
inferred← citeshttps://doi.org/10.1002/ange.202402777openalex-snapshot
Umgehung von Ammoniak: Von N2 zu stickstoffhaltigen Heterocyclen ohne N1‐Zwischenprodukte oder Übergangsmetalle
inferred← citeshttps://doi.org/10.1002/ange.202501187openalex-snapshot
Direct Observation of Cyclo ‐Pentazolate Anion Decomposition in a Tailored Molecular Trap
inferred← citeshttps://doi.org/10.1002/ange.5423925openalex-snapshot
Axially Chiral Nonalternant Polycyclic Aromatic Hydrocarbon With Consecutive Pentagons Exhibiting Large Spin‐Polarized Current
inferred← citeshttps://doi.org/10.1002/anie.202009644openalex-snapshot
Planar Cyclopenten‐4‐yl Cations: Highly Delocalized π Aromatics Stabilized by Hyperconjugation
inferred← citeshttps://doi.org/10.1002/anie.202115778openalex-snapshot
The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials**
inferred← citeshttps://doi.org/10.1002/anie.202205159openalex-snapshot
Catalytic Atroposelective Electrophilic Amination of Indoles
inferred← citeshttps://doi.org/10.1002/anie.202402777openalex-snapshot
Bypassing Ammonia: From N2 to Nitrogen Heterocycles without N1 Intermediates or Transition Metals
inferred← citeshttps://doi.org/10.1002/anie.202501187openalex-snapshot
Direct Observation of Cyclo ‐Pentazolate Anion Decomposition in a Tailored Molecular Trap
inferred← citeshttps://doi.org/10.1002/anie.5423925openalex-snapshot
Axially Chiral Nonalternant Polycyclic Aromatic Hydrocarbon With Consecutive Pentagons Exhibiting Large Spin‐Polarized Current
inferred← citeshttps://doi.org/10.1002/anov.70012openalex-snapshot
Modulating Bond Order and Aromaticity in Dual‐BN‐Bonded Dihydrophenazine for Multi‐Stimuli Responsiveness
inferred← citeshttps://doi.org/10.1002/asia.201900294openalex-snapshot
Aromaticity‐promoted C−F Bond Activation in Rhodium Complex: A Facile Tautomerization
inferred← citeshttps://doi.org/10.1002/chem.200600421openalex-snapshot
Unique {H(SiR3)2}, (H2SiR3), H(HSiR3), and (H2)SiR3 Ligand Sets Supported by the {Fe(Cp)(L)} Platform (L=CO, PR3)
inferred← citeshttps://doi.org/10.1002/chem.201202572openalex-snapshot
Counter‐Rotating Spin‐Polarised Ring Currents in Odd‐Electron Carbocycles
inferred← citeshttps://doi.org/10.1002/chem.201406463openalex-snapshot
Facile Synthesis and Versatile Reactivity of an Unusual Cyclometalated Rhodium(I) Pincer Complex
inferred← citeshttps://doi.org/10.1002/chem.201800979openalex-snapshot
Real‐Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength
inferred← citeshttps://doi.org/10.1002/chem.201902369openalex-snapshot
Exotic Bonding Regimes Uncovered in Excited States
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.202402970openalex-snapshot
The Possible Aromatic Conjugation via the Different Edges of (Car)Borane Clusters: Can the Relationship Between 3D and 2D Aromatic Systems Be Reconciled?
inferred← citeshttps://doi.org/10.1002/chem.202403369openalex-snapshot
Aromaticity in Isoelectronic Analogues of Benzene, Carborazine and Borazine, from Electronic Structure and Magnetic Property
inferred← citeshttps://doi.org/10.1002/chem.202503136openalex-snapshot
Twisted 1‐ and 2‐Azaperopyrenes: Synthesis, Structure, and Properties
inferred← citeshttps://doi.org/10.1002/chin.201115268openalex-snapshot
ChemInform Abstract: Aromaticity and Chemical Reactivity
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.201900641openalex-snapshot
Chemical Bonding from the Statistics of the Electron Distribution
inferred← citeshttps://doi.org/10.1002/cphc.202200601openalex-snapshot
BH4Ng+ (Ar−Rn): Viable Compounds with a B−Ng Covalent Bond
inferred← citeshttps://doi.org/10.1002/cphc.202300912openalex-snapshot
Dual Stabilization of a Tri‐Metallofullerene Radical Er3@C80: Exohedral Derivatization and Endohedral Three‐Center Bonding
inferred← citeshttps://doi.org/10.1002/cphc.202400005openalex-snapshot
The σ+π dual aromaticity of typical bi‐tetrazole ring molecule TKX‐50
inferred← citeshttps://doi.org/10.1002/cphc.202400105openalex-snapshot
Insight into the Stability of Pentazolyl Derivatives based on Covalent Bond
inferred← citeshttps://doi.org/10.1002/cphc.202400377openalex-snapshot
Theoretical Prediction and Comprehensive Characterization of an All‐Nitrogenatomic Ring, Cyclo[18]Nitrogen (N18)
inferred← citeshttps://doi.org/10.1002/cphc.202500335openalex-snapshot
Excited State Aromaticity Unveiled by Electron Localization Function Topology
inferred← citeshttps://doi.org/10.1002/ejoc.201701790openalex-snapshot
Synthesis of Fused B‐Containing Heterocyclic Compounds and Their Relevant Optical Properties
inferred← citeshttps://doi.org/10.1002/jcc.20894openalex-snapshot
Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe 2 (CO) 9 and Co 2 (CO) 8
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.21621openalex-snapshot
Performance of 3D‐space‐based atoms‐in‐molecules methods for electronic delocalization aromaticity indices
inferred← citeshttps://doi.org/10.1002/jcc.21784openalex-snapshot
Electron localization and delocalization indices for solids
inferred← citeshttps://doi.org/10.1002/jcc.23861openalex-snapshot
One‐electron images in real space: Natural adaptive orbitals
inferred← citeshttps://doi.org/10.1002/jcc.25223openalex-snapshot
Exact and exclusive electron localization indices within QTAIM atomic basins
inferred← citeshttps://doi.org/10.1002/jcc.26812openalex-snapshot
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
inferred← citeshttps://doi.org/10.1002/jcc.70184openalex-snapshot
Population Analysis From Variational Chemical Partition of Molecular Position Space
inferred← citeshttps://doi.org/10.1002/poc.1589openalex-snapshot
Electron reorganization in allowed and forbidden pericyclic reactions: multicenter bond indices as a measure of aromaticity and/or anti‐aromaticity in transition states of pericyclic electrocyclizations
inferred← citeshttps://doi.org/10.1002/qua.20007openalex-snapshot
Generalized population analysis of three‐center two‐electron bonding
inferred← citeshttps://doi.org/10.1002/qua.22046openalex-snapshot
Anatomy of bond formation: Insights from the analysis of domain‐averaged Fermi holes in momentum space
inferred← citeshttps://doi.org/10.1002/qua.22183openalex-snapshot
Methodologies to analyze surface bonding properties using parametric and density functional methods
inferred← citeshttps://doi.org/10.1002/qua.25699openalex-snapshot
Effects on the aromatic character of DNA/RNA nucleobases due to its adsorption onto graphene
inferred← citeshttps://doi.org/10.1002/qua.26412openalex-snapshot
Effect on the aromaticity of heterocyclic ligands by coordination with ruthenium electron‐withdrawing metal centers
inferred← citeshttps://doi.org/10.1002/qua.70192openalex-snapshot
Size Effects on Aromaticity in Cyclo[ n ]Carbons: From Global π Delocalization to the Evolution of Double‐π (Anti)aromaticity
inferred← citeshttps://doi.org/10.1002/slct.202100417openalex-snapshot
Electronic and Structural Properties of 2,3‐Naphthalimide in Open‐Shell Configurations Investigated by Pulse Radiolytic and Theoretical Approaches
inferred← citeshttps://doi.org/10.1002/slct.202102117openalex-snapshot
Density Functional Theory Study of Ultrashort Metal−Metal Distances in Diberyllium Complexes Bearing Carbene Ligands
inferred← citeshttps://doi.org/10.1002/wcms.1456openalex-snapshot
Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators
inferred← citeshttps://doi.org/10.1002/wcms.1579openalex-snapshot
A unified molecular‐wide and electron density based concept of chemical bonding
inferred← citeshttps://doi.org/10.1007/978-3-031-13666-5_3openalex-snapshot
The Electron Density
inferred← citeshttps://doi.org/10.1007/978-3-642-45149-2_5openalex-snapshot
Aromaticity of Organic and Inorganic Heterocycles
inferred← citeshttps://doi.org/10.1007/978-90-481-3836-4_9openalex-snapshot
Beyond Standard Charge Density Topological Analyses
inferred← citeshttps://doi.org/10.1007/s00214-019-2438-xopenalex-snapshot
Exploring the structural and electronic properties of double-Fe atom-doped Si20 cluster by quantum chemical calculations
inferred← citeshttps://doi.org/10.1007/s00214-019-2442-1openalex-snapshot
Structural, bonding, and superhalogen properties of Au4X 4 −/0 (X = F, Cl, Br, and I) clusters
inferred← citeshttps://doi.org/10.1007/s00214-019-2541-zopenalex-snapshot
A simple method of identifying π orbitals for non-planar systems and a protocol of studying π electronic structure
inferred← citeshttps://doi.org/10.1007/s00214-020-02636-6openalex-snapshot
The aromatic fullerene-like silicon cage with 12 Si5 pentagons stabilized by a V3 unit
inferred← citeshttps://doi.org/10.1007/s00214-020-02672-2openalex-snapshot
Theoretical study of the adsorption of amantadine on pristine, Al-, Ga-, P-, and As-doped boron nitride nanosheets: a PBC-DFT, NBO, and QTAIM study
inferred← citeshttps://doi.org/10.1007/s00214-023-02999-6openalex-snapshot
A structure and spectroscopy study about [16]cycloparaphenylene chiral molecule
inferred← citeshttps://doi.org/10.1007/s00214-026-03342-5openalex-snapshot
A brief journey through aromaticity indices
inferred← citeshttps://doi.org/10.1007/s00894-018-3764-yopenalex-snapshot
Theoretical investigations of the chemical bonding in MM′O2 clusters (M, M′ = Be, Mg, Ca)
inferred← citeshttps://doi.org/10.1007/s00894-018-3808-3openalex-snapshot
The influence of correlation on (de)localization indices from a valence bond perspective
inferred← citeshttps://doi.org/10.1007/s00894-020-04556-5openalex-snapshot
The adsorption of chlorofluoromethane on pristine, and Al- and Ga-doped boron nitride nanosheets: a DFT, NBO, and QTAIM study
inferred← citeshttps://doi.org/10.1007/s00894-021-04665-9openalex-snapshot
Comment on “Theoretical investigation on bond and spectrum of cyclo[18]carbon (C18) with sp-hybridized”
inferred← citeshttps://doi.org/10.1007/s00894-026-06986-zopenalex-snapshot
Substituent-directed tuning of energetic performance and sensitivity in tetrazolo[1,2,4]triazine-based high-energy materials: a computational investigation
inferred← citeshttps://doi.org/10.1007/s10910-005-6905-3openalex-snapshot
Cooperative Effect of CH···O Bonds in Models for Biological Systems
inferred← citeshttps://doi.org/10.1007/s10910-005-9049-6openalex-snapshot
Descriptors and Probability Distributions in MO Theory: Weighted Mulliken Matrices and Molecular Quantum Similarity Measures
inferred← citeshttps://doi.org/10.1007/s11224-017-0914-2openalex-snapshot
Insights from domain-averaged Fermi hole (DAFH) analysis and multicenter bond indices into the nature of Be(0) bonding
inferred← citeshttps://doi.org/10.1007/s11224-020-01646-1openalex-snapshot
The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study
inferred← citeshttps://doi.org/10.1007/s11224-025-02707-zopenalex-snapshot
Towards an absolute aromaticity scale from localization-delocalization matrix approach
inferred← citeshttps://doi.org/10.1007/s11426-022-1342-4openalex-snapshot
On the distinct reactivity of two isomers of [IrC4H2]+ toward methane and water
inferred← citeshttps://doi.org/10.1007/s13738-025-03340-7openalex-snapshot
Aromaticity and electronic structural properties of selenopehene and disselenophenes
inferred← citeshttps://doi.org/10.1016/0009-2614(92)85420-fopenalex-snapshot
Three-center four-electron bonds and their indices
inferred← citeshttps://doi.org/10.1016/0009-2614(93)e1429-kopenalex-snapshot
Valence bond studies of the barrier to rotation around the NN bond of N2O4
inferred← citeshttps://doi.org/10.1016/0009-2614(94)00145-6openalex-snapshot
Bonding in beryllium carbonyls
inferred← citeshttps://doi.org/10.1016/0039-6028(95)01043-2openalex-snapshot
A theoretical tool for the analysis of adsorbate-surface bond interactions
inferred← citeshttps://doi.org/10.1016/0166-1280(92)80036-lopenalex-snapshot
Theoretical study of multi-centre bonding using a delocalised MO approach
inferred← citeshttps://doi.org/10.1016/0166-1280(92)87011-nopenalex-snapshot
Increased-valence structures and spin-coupled valence bond descriptions of 1,3-dipolar molecules
inferred← citeshttps://doi.org/10.1016/0166-1280(93)85029-xopenalex-snapshot
Molecules built up from atomic groups
inferred← citeshttps://doi.org/10.1016/0166-1280(93)87058-lopenalex-snapshot
Sur une definition OM de la dureté moléculaire; quelques applications
inferred← citeshttps://doi.org/10.1016/0166-1280(93)87127-yopenalex-snapshot
Three-center bonding in LiXHn, HBeXHn, and H2BXHn, dimers with first-row substituents: a comparative study
inferred← citeshttps://doi.org/10.1016/0166-1280(95)04230-4openalex-snapshot
Some ab initio valence bond studies of N2O and CO2
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00051-9openalex-snapshot
Electron Number Distribution Functions
inferred← citeshttps://doi.org/10.1016/b978-0-12-822723-7.00002-9openalex-snapshot
Overview of the computational methods to assess aromaticity
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/b978-0-12-823144-9.00120-5openalex-snapshot
Chemical bonding with plane waves
inferred← citeshttps://doi.org/10.1016/b978-008044992-0.00309-6openalex-snapshot
Thiophenes and their Benzo Derivatives: Structure
inferred← citeshttps://doi.org/10.1016/b978-1-78242-362-1.00010-9openalex-snapshot
Conceptual density functional theory (DFT) approach to all-metal aromaticity and hydrogen storage
inferred← citeshttps://doi.org/10.1016/bs.adioch.2025.07.001openalex-snapshot
Aromaticity of singlet and triplet states of sandwich-like alkaline earth metal-doped boron clusters
inferred← citeshttps://doi.org/10.1016/bs.aihch.2016.03.007openalex-snapshot
Calculating the Aromaticity of Heterocycles
inferred← citeshttps://doi.org/10.1016/j.cclet.2025.111130openalex-snapshot
Cyclo-tetramerization of isocyanides promoted by cyclopentadienyl chromium complexes
inferred← citeshttps://doi.org/10.1016/j.cej.2026.179527openalex-snapshot
Mechanistic insights into the adsorption and separation of nonpolar molecules on delocalization porous carbon: Dispersion interactions enhanced by multiple bonds
inferred← citeshttps://doi.org/10.1016/j.chemphys.2003.07.001openalex-snapshot
Electron pairing analysis of the Fischer-type chromium–carbene complexes (CO)5CrC(X)R (X=H, OH, OCH3, NH2, NHCH3 and R=H, CH3, CHCH2, Ph, CCH )
inferred← citeshttps://doi.org/10.1016/j.chemphys.2016.09.039openalex-snapshot
Structure, temperature effect and bonding order analysis of hydrated bromide clusters
inferred← citeshttps://doi.org/10.1016/j.chemphys.2020.110951openalex-snapshot
How do magnetic, structural, and electronic criteria of aromaticity relate to HOMO – LUMO gap? An evaluation for graphene quantum dot and its derivatives
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.chempr.2024.10.005openalex-snapshot
Structural stability of a bent tetra(amino)tetraborane ring across four charge states
inferred← citeshttps://doi.org/10.1016/j.chempr.2024.10.009openalex-snapshot
Excited-state protonation and reduction enable the umpolung Birch reduction of naphthalenes
inferred← citeshttps://doi.org/10.1016/j.comptc.2014.09.030openalex-snapshot
Three-center bonding analyzed from correlated and uncorrelated third-order reduced density matrices
inferred← citeshttps://doi.org/10.1016/j.comptc.2020.113091openalex-snapshot
Structural and electronic properties of PtnSi12 (n = 1–4) clusters: Quantum chemical calculations
inferred← citeshttps://doi.org/10.1016/j.comptc.2022.113987openalex-snapshot
A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114790openalex-snapshot
Theoretical predictions on In-Plane aromaticity in double hydrogen transfer reactions between ethane and ethylene
inferred← citeshttps://doi.org/10.1016/j.cplett.2006.11.009openalex-snapshot
Multicenter delocalization indices vs. properties of the electron density at ring critical points: A study on polycyclic aromatic hydrocarbons
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.136600openalex-snapshot
Aromaticity analysis of fused heterometallacycles containing M M(M = Cr, Mo and W) quintuple bond
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.cplett.2024.141816openalex-snapshot
Aromaticity and substitution effect of the mono-boron-nitrogen-replaced analogues of cyclo[18]carbon
inferred← citeshttps://doi.org/10.1016/j.cplett.2025.142259openalex-snapshot
Energetics and decomposition mechanisms of a novel four-membered FP(μ-N)2S: A theoretical explanation
inferred← citeshttps://doi.org/10.1016/j.cplett.2026.143032openalex-snapshot
Cyclo-N73−: A perfectly symmetrical dual-aromatic all‑nitrogen anion
inferred← citeshttps://doi.org/10.1016/j.diamond.2020.108235openalex-snapshot
Prediction of azulene-based nanographene-like materials
inferred← citeshttps://doi.org/10.1016/j.ensm.2023.102778openalex-snapshot
Designing a solubility-limited small organic molecule for aqueous zinc-organic batteries
inferred← citeshttps://doi.org/10.1016/j.fpc.2023.04.003openalex-snapshot
The relationships between direct substituents, aromaticity and kinetic stability of pentazole ring
inferred← citeshttps://doi.org/10.1016/j.heliyon.2023.e20542openalex-snapshot
Isosterism in pyrrole via azaboroles substitution, a theoretical investigation for electronic structural, stability and aromaticity
inferred← citeshttps://doi.org/10.1016/j.ica.2024.122313openalex-snapshot
β-d-Glucopyranose – Silver+ (1:1) complex assisted aromaticity involving electron deficient X3 (X=Be, Mg) core
inferred← citeshttps://doi.org/10.1016/j.jmgm.2024.108728openalex-snapshot
Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalization and reactivity-based indices
inferred← citeshttps://doi.org/10.1016/j.mencom.2021.09.029openalex-snapshot
Bond orders and electron delocalization indices for S–N, S–C and S–S bonds in 1,2,3-dithiazole systems
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.116764openalex-snapshot
A density functional investigation on the structures, electronic, spectral and fluxional properties of VB20- cluster
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.117099openalex-snapshot
Non-additive electronic polarizabilities of ionic liquids: Charge delocalization effects
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.118153openalex-snapshot
Charge delocalization and hyperpolarizability in ionic liquids
inferred← citeshttps://doi.org/10.1016/j.molstruc.2019.01.087openalex-snapshot
B3Si12: A hexagonal prism with three short B B single bonds at the center coordinated by a Si12 cage and reinforced by aromaticity
inferred← citeshttps://doi.org/10.1016/j.molstruc.2023.135420openalex-snapshot
Electronic structure and detonation property prediction of pentazolate derivatives: Aminopentazole, diaminopentazole cations, azopentazole, and 1,2-diazopentazole
inferred← citeshttps://doi.org/10.1016/j.orgel.2018.05.043openalex-snapshot
Can aromaticity enhance the electron transport in molecular wires?
inferred← citeshttps://doi.org/10.1016/j.saa.2024.124964openalex-snapshot
Tailoring refractive index dispersion in ionic liquids: The influence of charge delocalization in cations
inferred← citeshttps://doi.org/10.1016/s0009-2614(98)00509-0openalex-snapshot
Influence of the hypermodified Y base on the A U pairing in the codon–anticodon interaction
inferred← citeshttps://doi.org/10.1016/s0009-2614(98)01267-6openalex-snapshot
Some remarks on multi-center bond index
inferred← citeshttps://doi.org/10.1016/s0166-1280(01)00404-3openalex-snapshot
On the nature of bonding in N5+ ion
inferred← citeshttps://doi.org/10.1016/s0166-1280(01)00484-5openalex-snapshot
Atomic orbital participation on a chemical bond through a binding energy partitioning scheme
inferred← citeshttps://doi.org/10.1016/s0166-1280(96)04662-3openalex-snapshot
Three-center bond index profiles
inferred← citeshttps://doi.org/10.1016/s0166-1280(96)04815-4openalex-snapshot
Multicenter bonds, bond valence and bond charge apportionment
inferred← citeshttps://doi.org/10.1016/s0166-1280(99)00339-5openalex-snapshot
Ab initio theoretical study of three-centre bonding on the basis of bond index
inferred← citeshttps://doi.org/10.1016/s0166-1280(99)00382-6openalex-snapshot
On the nature of multicenter bonding in simple atomic clusters
inferred← citeshttps://doi.org/10.1016/s0301-0104(98)00412-1openalex-snapshot
Theoretical study of the structure and NMR properties of μ-hydrido-bridged carbocations and carbodications
inferred← citeshttps://doi.org/10.1021/acs.analchem.5c01681openalex-snapshot
Pyrrole-Modified Two-Dimensional Carbon Nitride Nanoparticles Realize Super-Resolution Imaging
inferred← citeshttps://doi.org/10.1021/acs.cgd.2c00703openalex-snapshot
Effect of Hydrogen Bond Interaction on the Decomposition Temperature, Aromaticity, and Bond Order of Nonmetallic Pentazolate Salts
inferred← citeshttps://doi.org/10.1021/acs.chemmater.6c01241openalex-snapshot
Dual-Attention Graph Neural Network Capturing Intramolecular Noncovalent Interactions for Precise Prediction of Bond Dissociation Energies in Organic Optoelectronic Materials
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c04505openalex-snapshot
N-Aryloxide-Amidinate Thorium Complexes
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5c02603openalex-snapshot
Stability of T d -Distorted Be 8 X 12 2+ (X = H, F) Clusters with Multicenter Bonding and Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5c03367openalex-snapshot
H©Cu4I4–: A Planar Tetracoordinate Hydrogen Superhalogen Anion Stabilized by Covalent Multicenter Bonding
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6c01616openalex-snapshot
Activation of Nitrogen by Diberyllium Species: Matrix Infrared Spectra and Quantum Chemical Calculations
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01627openalex-snapshot
Exploring Intrinsic Bond Properties with the Fukui Matrix from Conceptual Density Matrix Functional Theory
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00139openalex-snapshot
Decay Rate of Correlated Real-Space Delocalization Measures: Insights into Chemical Bonding and Mott Transitions from Hydrogen Chains
inferred← citeshttps://doi.org/10.1021/acs.joc.3c02052openalex-snapshot
Dearomatization of [2.2]Paracyclophane-Derived N-Sulfonylimines through Cyclopropanation with Sulfur Ylides
inferred← citeshttps://doi.org/10.1021/acs.joc.5c00919openalex-snapshot
PeriRxn , a Tool for Assessing Pericyclicity through Nucleus-Independent Chemical Shifts and Normalized Multicenter Bond Orders
inferred← citeshttps://doi.org/10.1021/acs.joc.5c02533openalex-snapshot
Influence of Dimerization on Aromaticity in Benzene and Heteroaromatic Rings
inferred← citeshttps://doi.org/10.1021/acs.joc.6c01083openalex-snapshot
Resonance-Structure Collapse Enables Aromaticity-Controlled Design of Small Singlet-Fission Chromophore Candidates
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c09549openalex-snapshot
The Relative Stability of Indole Isomers Is a Consequence of the Glidewell-Lloyd Rule
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b03267openalex-snapshot
Do Organometallic CH4–Me+pAdducts and X4H+(X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c05498openalex-snapshot
Dynamic Four-Membered Rings with 2π Aromaticity
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b07322openalex-snapshot
Deciphering the Structural Evolution and Electronic Properties of Magnesium Clusters: An Aromatic Homonuclear Metal Mg17 Cluster
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b08310openalex-snapshot
Influence of Charge Distribution on Structural Changes of Aromatic Imide Derivatives upon One-Electron Reduction Revealed by Time-Resolved Resonance Raman Spectroscopy during Pulse Radiolysis
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b10113openalex-snapshot
Bond Order Densities in Real Space
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c01064openalex-snapshot
Aromaticity as a Guide to Planarity in Conjugated Molecules and Polymers
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c00718openalex-snapshot
Crystal Orbital Bond Index: Covalent Bond Orders in Solids
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c07374openalex-snapshot
Resonance-Assisted Hydrogen Bonding Mediated Synergy between Energy and Safety in Energetic Materials: Experimental Inspiration and Mechanism Research
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b06390openalex-snapshot
Vibrational Characterization of Two-Dimensional Graphdiyne Sheets
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b11268openalex-snapshot
Phosphorene as a Template Material for Physisorption of DNA/RNA Nucleobases and Resembling of Base Pairs: A Cluster DFT Study and Comparisons with Graphene
inferred← citeshttps://doi.org/10.1021/acs.jpclett.4c02791openalex-snapshot
Probing Aromaticity with Supersonic Jet Spectroscopy: A Case Study on Furan, Thiophene, and Selenophene
inferred← citeshttps://doi.org/10.1021/acs.langmuir.3c00773openalex-snapshot
Effects of Inorganic Substitutions and Different Metal Electrode Materials on Electronic Transport Properties of Organic Molecular Devices
inferred← citeshttps://doi.org/10.1021/acs.organomet.2c00627openalex-snapshot
Inverse Sandwich Arene-Bridged Titanium Complexes Supported by a Bulky Tridentate [O, P, O] Ligand
inferred← citeshttps://doi.org/10.1021/acs.organomet.5c00348openalex-snapshot
Charge-Promoted Adaptive Aromaticity in Metallabenzenes: A Combined DFT and Machine Learning Study
inferred← citeshttps://doi.org/10.1021/acs.orglett.5c01374openalex-snapshot
Unveiling the True Identity of Carborane-Fused Phosphorus Heterocycles
inferred← citeshttps://doi.org/10.1021/acs.orglett.6c01244openalex-snapshot
Exploring the Construction of a Fused-Ring Triazolopyrimidine Energetic Molecule
inferred← citeshttps://doi.org/10.1021/acsaem.4c02862openalex-snapshot
Boosted Lithium Storage on a Small Organic Molecule Cathode with Ether and Hydroxyl Modification
inferred← citeshttps://doi.org/10.1021/acsami.5c01664openalex-snapshot
Conductivity of Electropolymerized Thiophene Films: Effect of Fused-Ring Thiophenes as the Monomer
inferred← citeshttps://doi.org/10.1021/acsomega.2c02291openalex-snapshot
Evaluation of Slight Changes in Aromaticity through Electronic and Density Functional Reactivity Theory-Based Descriptors
inferred← citeshttps://doi.org/10.1021/acssuschemeng.6c08224openalex-snapshot
Molecular Polarity in Conjugated Microporous Polymers for Efficient CO2 Photoreduction
inferred← citeshttps://doi.org/10.1021/cr400252hopenalex-snapshot
Aromaticity from the Viewpoint of Molecular Geometry: Application to Planar Systems
inferred← citeshttps://doi.org/10.1021/ct5002736openalex-snapshot
New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter Indices
inferred← citeshttps://doi.org/10.1021/ja076588sopenalex-snapshot
High-Yielding Palladium-Catalyzed Intramolecular Alkane Arylation: Reaction Development and Mechanistic Studies
inferred← citeshttps://doi.org/10.1021/jacs.1c00204openalex-snapshot
Isolable Phospha- and Arsaalumenes
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.5c18249openalex-snapshot
Oxidation of a Dihydrophenazine Molecular Wire Attenuates Molecular Conductance
inferred← citeshttps://doi.org/10.1021/jacs.7b06305openalex-snapshot
Metal–Ligand Cooperative Reactivity in the (Pseudo)-Dearomatized PNx(P) Systems: The Influence of the Zwitterionic Form in Dearomatized Pincer Complexes
inferred← citeshttps://doi.org/10.1021/jacs.8b00136openalex-snapshot
Iridium-Catalyzed Intramolecular Asymmetric Allylic Alkylation of Hydroxyquinolines: Simultaneous Weakening of the Aromaticity of Two Consecutive Aromatic Rings
inferred← citeshttps://doi.org/10.1021/jacs.8b11564openalex-snapshot
Dual Aromaticity in Both the T0 and S1 States: Osmapyridinium with Phosphonium Substituents
inferred← citeshttps://doi.org/10.1021/jacsau.6c01251openalex-snapshot
Low-Coordinate W–W Quadruple Bond as an Alkene Surrogate: Divergent [2 + 2 + 2] and [2 + 2 + 1] Cycloadditions with Alkynes
inferred← citeshttps://doi.org/10.1021/jo061702vopenalex-snapshot
Aromaticity and Homoaromaticity in Methano[10]annulenes
inferred← citeshttps://doi.org/10.1021/jo801407eopenalex-snapshot
Revealing Intuitively Assessable Chemical Bonding Patterns in Organic Aromatic Molecules via Adaptive Natural Density Partitioning
inferred← citeshttps://doi.org/10.1021/jp0008694openalex-snapshot
Comparison of ab Initio Hartree−Fock and Kohn−Sham Orbitals in the Calculation of Atomic Charge, Bond Index, and Valence
inferred← citeshttps://doi.org/10.1021/jp001062eopenalex-snapshot
Pair Population Analysis within AIM Theory
inferred← citeshttps://doi.org/10.1021/jp0020539openalex-snapshot
Electron Reorganization along the Intrinsic Reaction Coordinate in 1,3-Dipolar Cycloaddition
inferred← citeshttps://doi.org/10.1021/jp011513aopenalex-snapshot
Electronic Structure, Stability, and Nature of Bonding of the Complexes of C2H2 and C2H4 with H+, Li+, and Na+ Ions. Extensive ab Initio and Density Functional Study
inferred← citeshttps://doi.org/10.1021/jp012256copenalex-snapshot
On the Nature of C−Li Bonding in Lithiated Hydrocarbons and Lithiocarbons
inferred← citeshttps://doi.org/10.1021/jp052179bopenalex-snapshot
Multicenter Bond Indices As a New Means for the Quantitative Characterization of Homoaromaticity
inferred← citeshttps://doi.org/10.1021/jp0716132openalex-snapshot
Properties of Aromaticity Indices Based on the One-Electron Density Matrix
inferred← citeshttps://doi.org/10.1021/jp205152nopenalex-snapshot
Understanding Conjugation and Hyperconjugation from Electronic Delocalization Measures
inferred← citeshttps://doi.org/10.1021/jp3047328openalex-snapshot
Changes in Charge Distribution, Molecular Volume, Accessible Surface Area and Electronic Structure along the Reaction Coordinate for a Carbocationic Triple Shift Rearrangement of Relevance to Diterpene Biosynthesis
inferred← citeshttps://doi.org/10.1021/jp401631aopenalex-snapshot
Alternative Approach to Calculate Two-Center Overlap Matrix through Deformed Exponential Function
inferred← citeshttps://doi.org/10.1021/jp4017932openalex-snapshot
On the Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs. Insights from the Analysis of Domain Averaged Fermi Holes and Generalized Population Analysis
inferred← citeshttps://doi.org/10.1021/jp962510eopenalex-snapshot
Investigation of Some Properties of Multicenter Bond Indices
inferred← citeshttps://doi.org/10.1021/jp981816dopenalex-snapshot
On the Physical Meaning of Bond Indices from the Population Analysis of Higher Order Densities
inferred← citeshttps://doi.org/10.1021/prechem.5c00294openalex-snapshot
Separated Energy Domains in the Sequential Hydration of a Benzonitrile Radical Cation
inferred← citeshttps://doi.org/10.1023/a:1016692425299openalex-snapshot
Graphical Linking of MO Multicenter Bond Index and VB Structures. II- 5-c Rings and 6-c Heterocyclic Rings
showing the first 200 of 284 · page through all 284
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.