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Basis Set and Method Dependence in Atoms in Molecules Calculations

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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/chem.200500600openalex-snapshot
Continua of Interactions between Pairs of Atoms in Molecular Crystals
inferredcites →https://doi.org/10.1002/jcc.21417openalex-snapshot
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inferredcites →https://doi.org/10.1002/jcc.540030306openalex-snapshot
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inferredcites →https://doi.org/10.1016/0009-2614(96)00917-7openalex-snapshot
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inferredcites →https://doi.org/10.1016/s0009-2614(98)00036-0openalex-snapshot
Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities
inferredcites →https://doi.org/10.1016/s0022-2860(00)00863-2openalex-snapshot
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inferredcites →https://doi.org/10.1021/ar00109a003openalex-snapshot
Atoms in molecules
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inferredcites →https://doi.org/10.1021/cr00088a005openalex-snapshot
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inferredcites →https://doi.org/10.1021/j100024a016openalex-snapshot
Characterization of C-H-O Hydrogen Bonds on the Basis of the Charge Density
inferredcites →https://doi.org/10.1021/ja00318a009openalex-snapshot
Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivity
inferredcites →https://doi.org/10.1021/jp011819hopenalex-snapshot
Ab Initio Calculations on Conventional and Unconventional Hydrogen BondsStudy of the Hydrogen Bond Strength
inferredcites →https://doi.org/10.1021/jp064997popenalex-snapshot
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inferredcites →https://doi.org/10.1021/jp993984ropenalex-snapshot
High-Level Ab Initio Calculations of Dihydrogen-Bonded Complexes
inferredcites →https://doi.org/10.1063/1.1740588openalex-snapshot
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
inferredcites →https://doi.org/10.1063/1.1747632openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.446956openalex-snapshot
The characterization of atomic interactions
inferredcites →https://doi.org/10.1063/1.462569openalex-snapshot
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
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.136.b864openalex-snapshot
Inhomogeneous Electron Gas
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
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

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On the Coexistence of the Carbene⋯H-D Hydrogen Bond and Other Accompanying Interactions in Forty Dimers of N-Heterocyclic-Carbenes (I, IMe2, IiPr2, ItBu2, IMes2, IDipp2, IAd2; I = imidazol-2-ylidene) and Some Fundamental Proton Donors (HF, HCN, H2O, MeOH, NH3)
inferred← citeshttps://doi.org/10.3390/pr13020543openalex-snapshot
Insights of Density Functional Theory into JP-10 Tetrahydrodicyclopentadiene Fuel Properties
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