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  1. On the nature of quantum-chemical entities: the case of electron density.Jesus Alberto Jaimes Arriaga - 2022 - Foundations of Chemistry 25 (1):127-139.
    An Aristotelian philosophy of nature offers an alternative to reduction for the conception of the inter-theoretical relationships between molecular chemistry and quantum mechanics. A basic ingredient for such an approach is an ontology of fundamental causal powers, and this work aims to develop such an ontology by drawing on quantum-chemical entities, particularly, the electron density. This notion is central to the Quantum Theory of Atoms in Molecules, a theory of molecular structure developed by Richard F. W. Bader, which describes molecules (...)
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  • A Philosophical Analysis of the Relation between Chemistry and Quantum Mechanics.Vanessa Seifert - 2019 - Dissertation, University of Bristol
    This thesis investigates the epistemological and metaphysical relations between chemistry and quantum mechanics. These relations are examined with respect to how chemistry and quantum mechanics each describe a single inert molecule. A review of how these relations are understood in the literature shows that there is a proliferation of positions which focus on how chemistry is separate from quantum mechanics. This proliferation is accompanied by a tendency within the philosophy of chemistry community to connect the legitimacy of the field with (...)
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  • A new chapter in the problem of the reduction of chemistry to physics: the Quantum Theory of Atoms in Molecules.Jesus Alberto Jaimes Arriaga, Sebastian Fortin & Olimpia Lombardi - 2019 - Foundations of Chemistry 21 (1):125-136.
    The problem of the reduction of chemistry to physics has been traditionally addressed in terms of classical structural chemistry and standard quantum mechanics. In this work, we will study the problem from the perspective of the Quantum Theory of Atoms in Molecules, proposed by Richard Bader in the nineties. The purpose of this article is to unveil the role of QTAIM in the inter-theoretical relations between chemistry and physics. We argue that, although the QTAIM solves two relevant obstacles to reduction (...)
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  • An alternative approach to unifying chemistry with quantum mechanics.Vanessa A. Seifert - 2017 - Foundations of Chemistry 19 (3):209-222.
    Harold Kincaid in Individualism and the Unity of Science postulates a model of unity-without-reduction in order to accurately describe the relation between individualism and macroeconomics. I present this model and apply it to the description of the relation between chemistry and quantum mechanics. I argue that, when it comes to the description of molecular structure, chemistry and quantum mechanics are unified in Kincaid’s sense. Specifically, the two disciplines contribute to the formation of a unified body of knowledge with respect to (...)
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  • Towards a Philosophy of Chemical Reactivity Through the Molecule in Atoms-of Concept.Saturnino Calvo-Losada & José Joaquín Quirante - 2022 - Axiomathes 32 (1):1-41.
    A novel non-classical mereological concept built up by blending the Metaphysics of Xavier Zubiri and the Quantum Theory of Atoms in Molecules of R. F. W. Bader is proposed. It is argued that this philosophical concept is necessary to properly account for what happens in a chemical reaction. From the topology of the gradient of the laplacian of the electronic charge density, \\) within the QTAIM framework, different “atomic graphs” are found for each atom depending on the molecular context, reflecting (...)
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