Oct 3, 2016 · This theory has been widely applied to unravel atom-atom interactions in covalent and non-covalent interactions in molecules.
... The QTAIM theory was proposed by Bader et al. in the early years, and which is widely used in the analysis of chemical bonds and interactions.
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In this perspective article, the basic theory and applications of the “Quantum Theory of Atoms in Molecules” have been presented with examples from different ...
“…AIM theory is found to be a useful tool for describing the electronic properties of a chemical bond. ... The calculated topological parameters for the Li +Á Á Á ...
Bader's Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding. https://doi.org/10.1007/s12039-016-1172-3. Journal: Journal of Chemical ...
mechanics to interpret chemical bonding (Bader 2011b), a proposal already suggested by Slater ... “A quantum theory of molecular structure and its applications”.
Dec 1, 2017 · In this perspective article, the basic theory and applications of the "Quantum Theory of Atoms in Molecules" have been presented with examples ...
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Presents an account of the theory that molecules are made up of atoms held together by bonds, addressed to scientists in a wide range of fields.
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[PDF] 1 An Introduction to the Quantum Theory of Atoms in Molecules
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The quantum theory of atoms in molecules is a generalization of quantum mechanics to open quantum systems. Bader has shown that the topological parti- tioning ...
According to QTAIM, molecular structure is revealed by the stationary points of the electron density together with the gradient paths of the electron density ...
