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The Electron Density of Gamma-Pyrone and 1-Thiopyrone and Their 4-Thione Derivatives. Equilibrium Structures and Electron Distributions by Direct Integration of the Wave-Functions at the Hartree-Fock and Density Functional Level

https://doi.org/10.2139/ssrn.4829370
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Ab initio study, including electron correlation, of the electronic structures, the dipole moments, the static polarizabilities and of the harmonic force fields of H2CO, H2CS and H2SiO
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The microwave spectrum of thioformaldehyde, CD2S, and CH2S: Average structure, dipole moments, and 33S quadrupole coupling
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ADVANCES IN HETEROCYCLIC CHEMISTRY
inferredcites →https://doi.org/10.1016/j.cplett.2004.06.011openalex-extracted
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
inferredcites →https://doi.org/10.1021/ar00109a003openalex-extracted
Atoms in molecules
inferredcites →https://doi.org/10.1021/ct0502209openalex-extracted
A Molecular Energy Decomposition Scheme for Atoms in Molecules
inferredcites →https://doi.org/10.1021/ed079p1141openalex-extracted
Understanding and Interpreting Molecular Electron Density Distributions
inferredcites →https://doi.org/10.1021/jp0482666openalex-extracted
Atomic Charges Are Measurable Quantum Expectation Values: A Rebuttal of Criticisms of QTAIM Charges
inferredcites →https://doi.org/10.1021/jp911047sopenalex-extracted
Basis Set and Method Dependence in Atoms in Molecules Calculations
inferredcites →https://doi.org/10.1039/d2cp05428kopenalex-extracted
Atomic charges in molecules defined by molecular real space partition into atomic subspaces
inferredcites →https://doi.org/10.1039/f29817700079openalex-extracted
Microwave spectra, structures and dipole moments of 4H-pyran-4-one and its sulphur analogues
inferredcites →https://doi.org/10.1063/1.1732476openalex-extracted
Criteria for the Construction of Good Self-Consistent-Field Molecular Orbital Wave Functions, and the Significance of LCAO-MO Population Analysis
inferredcites →https://doi.org/10.1063/1.1740588openalex-extracted
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
inferredcites →https://doi.org/10.1063/1.1740589openalex-extracted
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies
inferredcites →https://doi.org/10.1063/1.434988openalex-extracted
Molecular beam electric resonance study of formaldehyde, thioformaldehyde, and ketene
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The atom in a molecule: A density matrix approach
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Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
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Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
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Density-functional thermochemistry. III. The role of exact exchange
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The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations
inferredcites →https://doi.org/10.1063/5.0186919openalex-extracted
The ultraviolet and vacuum ultraviolet absorption spectrum of gamma-pyrone; the singlet states studied by configuration interaction and density functional calculations
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Atoms in Molecules
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The Spectroscopy of Formaldehyde and Thioformaldehyde
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