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Interpretation of vicinal proton–proton coupling constants of heteroaromatic molecules in terms of topological electron density descriptors
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527610709openalex-snapshot
The Quantum Theory of Atoms in Molecules
inferredcites →https://doi.org/10.1002/mrc.1260320113openalex-snapshot
Spin—spin couplings between 13C nuclei in five‐membered heteroaromatic ring systems
inferredcites →https://doi.org/10.1002/mrc.1457openalex-snapshot
The performance of hybrid density functional theory for the calculation of indirect nuclear spin–spin coupling constants in substituted hydrocarbons
inferredcites →https://doi.org/10.1002/mrc.1967openalex-snapshot
NMR spectra, GIAO and charge density calculations of five‐membered aromatic heterocycles
inferredcites →https://doi.org/10.1002/mrc.2532openalex-snapshot
Simultaneous measurement of NH and CαHα coupling constants in proteins
inferredcites →https://doi.org/10.1002/mrc.2579openalex-snapshot
Theoretical study of bifurcated hydrogen bonding effects on the 1J(N,H), 1hJ(N,H), 2hJ(N,N) couplings and 1H, 15N shieldings in model pyrroles
inferredcites →https://doi.org/10.1007/s00214-002-0356-8openalex-snapshot
The calculation of electron localization and delocalization indices at the Hartree-Fock, density functional and post-Hartree-Fock levels of theory
inferredcites →https://doi.org/10.1016/0022-2852(65)90172-4openalex-snapshot
Solvent and concentration effects on 13CH coupling constants and chemical shifts in some dihaloethylenes
inferredcites →https://doi.org/10.1016/0040-4020(80)80155-4openalex-snapshot
The relationship between proton-proton NMR coupling constants and substituent electronegativities—I
inferredcites →https://doi.org/10.1016/j.cplett.2008.12.004openalex-snapshot
Relation between bond order and delocalization index of QTAIM
inferredcites →https://doi.org/10.1016/j.pnmrs.2008.02.002openalex-snapshot
The quantum-chemical calculation of NMR indirect spin–spin coupling constants
inferredcites →https://doi.org/10.1016/s0040-4020(01)96543-3openalex-snapshot
A new aromaticity index and its application to five-membered ring heterocycles
inferredcites →https://doi.org/10.1016/s0079-6565(96)01033-3openalex-snapshot
Unravelling molecular structure and conformation—the modern role of coupling constants
inferredcites →https://doi.org/10.1021/cr0306790openalex-snapshot
Aromaticity as a Cornerstone of Heterocyclic Chemistry
inferredcites →https://doi.org/10.1021/cr60281a004openalex-snapshot
Solvent dependence of nuclear spin-spin coupling constants
inferredcites →https://doi.org/10.1021/ja0025705openalex-snapshot
The Chemical Nature of Hydrogen Bonding in Proteins via NMR: J -Couplings, Chemical Shifts, and AIM Theory
inferredcites →https://doi.org/10.1021/ja00901a059openalex-snapshot
Vicinal Proton Coupling in Nuclear Magnetic Resonance
inferredcites →https://doi.org/10.1021/ja0614722openalex-snapshot
Geometry, Energetics, and Dynamics of Hydrogen Bonds in Proteins: Structural Information Derived from NMR Scalar Couplings
inferredcites →https://doi.org/10.1021/ja066586sopenalex-snapshot
J-GFT NMR for Precise Measurement of Mutually Correlated Nuclear Spin−Spin Couplings
inferredcites →https://doi.org/10.1021/jo016255sopenalex-snapshot
To What Extent Can Aromaticity Be Defined Uniquely?
inferredcites →https://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
inferredcites →https://doi.org/10.1021/jp020514fopenalex-snapshot
Proton Spin−Spin Coupling and Electron Delocalization
inferredcites →https://doi.org/10.1021/jp034952dopenalex-snapshot
Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization
inferredcites →https://doi.org/10.1021/jp055864ropenalex-snapshot
Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization.
inferredcites →https://doi.org/10.1021/jp073564zopenalex-snapshot
Experimental and Theoretical Analysis of Vicinal and Long-Range Proton−Proton Coupling Constants for Anthracene Derivatives
inferredcites →https://doi.org/10.1039/b906961eopenalex-snapshot
Energetic and electron density analysis of hydrogen dissociation of protonated benzene
inferredcites →https://doi.org/10.1063/1.1729860openalex-snapshot
Contact Electron-Spin Coupling of Nuclear Magnetic Moments
inferredcites →https://doi.org/10.1063/1.1741919openalex-snapshot
Dirac Vector Model for Electron Coupled Nuclear Spin Interactions
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1093/oso/9780198551683.001.0001openalex-snapshot
Atoms in Molecules
inferredcites →https://doi.org/10.1103/physrev.91.303openalex-snapshot
Electron Coupled Interactions between Nuclear Spins in Molecules
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.3390/i4030119openalex-snapshot
Solvent Effects on the Indirect Spin–Spin Coupling Constants of Benzene: The DFT-PCM Approach
inferredcites →https://doi.org/10.5860/choice.32-2145openalex-snapshot
Aromaticity and antiaromaticity: electronic and structural aspects
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.3897/pharmacia.73.e198079zenodo-depositor-declared
1,3,4-Oxadiazole derivatives as potential anti-glioma agents: synthesis, characterization, in vitro cytotoxic activity against HS683 cells, and molecular docking
inferred← citeshttps://doi.org/10.1002/qua.25789openalex-snapshot
Latin American contributions to quantum chemical topology
inferred← citeshttps://doi.org/10.1007/s00894-021-04725-0openalex-snapshot
A theoretical study to the loliolide molecule and its isomers: a study by circular dichroism, QTAIM, and NMR theoretical methods
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.126847openalex-snapshot
Molecular structure, electronic properties, spectroscopic investigation and nonlinear optical properties of thianaphthene-2-carboxylic acid: A quantum chemical approach
inferred← citeshttps://doi.org/10.1021/jo501368dopenalex-snapshot
Synthesis of Highly Substituted Adamantanones from Bicyclo[3.3.1]nonanes
inferred← citeshttps://doi.org/10.1039/9781849734851-00119openalex-snapshot
Theoretical aspects of indirect spin-spin couplings
inferred← citeshttps://doi.org/10.1039/9781849734851-00148openalex-snapshot
Applications of spin-spin couplings
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