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A Method for Estimating Electronic Repulsion Integrals Over LCAO MO'S in Complex Unsaturated Molecules
National licenceAmerican Institute of Physics | 1952| -
Three Remarks on Molecular Orbital Theory of Complex Molecules
National licenceAmerican Institute of Physics | 1960| -
Density functional approach to the frontier-electron theory of chemical reactivity
National licenceAmerican Chemical Society | 1984| -
Theorem Governing Changes in Molecular Conformation
National licenceAmerican Institute of Physics | 1964| -
Local hardness equalization: Exploiting the ambiguity
National licenceAmerican Institute of Physics | 2008| -
A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.
National licenceAmerican Institute of Physics | 1953| -
Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density
National licenceAmerican Institute of Physics | 2008| -
Atomic Correlation Energy from the Electron Density at the Nucleus †
American Chemical Society | 2007| -
A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II
National licenceAmerican Institute of Physics | 1953| -
Absolute hardness: companion parameter to absolute electronegativity
National licenceAmerican Chemical Society | 1983| -
Derivation of a local formula for electron-electron repulsion energy
National licenceAmerican Chemical Society | 1988| -
Activation hardness: new index for describing the orientation of electrophilic aromatic substitution
National licenceAmerican Chemical Society | 1990| -
Variational Principles for Describing Chemical Reactions: The Fukui Function and Chemical Hardness Revisited
American Chemical Society | 2000| -
Molecular hardness and softness, local hardness and softness, hardness and softness kernels, and relations among these quantities
National licenceAmerican Institute of Physics | 1988|
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