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The Quantum Theory of Atoms in Molecules and the Interactive Conception of Chemical Bonding
Philosophy of Science, 2019Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily reconciled with quantum mechanical models of molecular systems. The quantum theory of atoms in molecules, developed by Richard F. W. Bader and colleagues, seeks to define bonding using a topological analysis of the electron density distribution. The “bond
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Comment on: Revisiting the variational nature of the quantum theory of atoms in molecules
Chemical Physics Letters, 2006Abstract A Letter by Pendas, Blanco and Francisco [A.M. Pendas, M.A. Blanco, E. Francisco, Chem. Phys. Lett. 417 (2006) 16] recently appeared in this journal whose purported purpose was to present ‘A simplified derivation of the variational nature of the real space basins used in the quantum theory of atoms in molecules (QTAIM)…’ The purpose of ...
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Next Generation Quantum Theory of Atoms in Molecules
2023Samantha Jenkins, Steven Robert Kirk
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Atoms in Molecules — a Quantum Theory
Journal of Molecular Structure: THEOCHEM, 1996openaire +1 more source
The quantum theory of atoms, molecules and photons
Journal of Molecular Structure, 1973openaire +1 more source
Applications of the Quantum Theory of Atoms in Molecules to Chemical and Biochemical Problems
2002Doctor of Philosophy (PhD)
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Recent advances on halogen bonds within the quantum theory of atoms-in-molecules
2023Vincent Tognetti
exaly