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Chemical bonding in view of electron charge density and kinetic energy density descriptors
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Natural resonance theory: I. General formalism
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Natural resonance theory: II. Natural bond order and valency
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Natural resonance theory: III. Chemical applications
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Natural resonance theory. I. General formalism
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The Physical Mechanism of the Chemical Bond
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Hydrogen–Hydrogen Bonding: A Stabilizing Interaction in Molecules and Crystals
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Topological Analysis of Electron Densities: Is the Presence of an Atomic Interaction Line in an Equilibrium Geometry a Sufficient Condition for the Existence of a Chemical Bond?
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Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms‐In‐Molecules Theory, Does Not Exist
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A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power
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Comment on the Comparative Use of the Electron Density and Its Laplacian
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Is This a Chemical Bond? A Theoretical Study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe)
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Chemical fragments in real space: Definitions, properties, and energetic decompositions
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Bond order and valence indices: A personal account
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Chemical interpretation of molecular electron density distributions
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Orthogonal trajectories of the electron density
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Local kinetic energy and local temperature in the density‐functional theory of electronic structure
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MORPHY, a program for an automated “atoms in molecules” analysis
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Density-functional theory of atoms and molecules
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Chemical content of the kinetic energy density
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Properties of Atoms in Molecules: Caged Atoms and the Ehrenfest Force
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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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Comparison of covalent bond indexes and sharing indexes
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Covalent bond orders in the topological theory of atoms in molecules
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Spatial localization of the electronic pair and number distributions in molecules
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The Transition State for Intramolecular Atom Exchange between Hydride and Dihydrogen Ligands incis-[Fe(PR3)4H(H2)]+Complexes. Trishydride or Trihydrogen?
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Characterization of a Closed-Shell Fluorine−Fluorine Bonding Interaction in Aromatic Compounds on the Basis of the Electron Density
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A Bond Path: A Universal Indicator of Bonded Interactions
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Two functions of the density matrix and their relation to the chemical bond
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Alternatives to the electron density for describing Coulomb systems
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Kinetic energy density study of some representative semilocal kinetic energy functionals
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Local kinetic energy in quantum mechanics
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A new mixing of Hartree–Fock and local density-functional theories
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Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
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Atoms in Molecules
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Density-functional exchange-energy approximation with correct asymptotic behavior
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Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1103/physrevb.45.13244openalex-snapshot
Accurate and simple analytic representation of the electron-gas correlation energy
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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.75.155109openalex-snapshot
Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
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The Physical Nature of the Chemical Bond
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Expanding the scope of the Newman–Kwart rearrangement — A computational assessment
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Localized-orbital locator (LOL) profiles of chemical bonding
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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