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  1. Two-step emergence: the quantum theory of atoms in molecules as a bridge between quantum mechanics and molecular chemistry.Chérif F. Matta, Olimpia Lombardi & Jesús Jaimes Arriaga - 2020 - Foundations of Chemistry 22 (1):107-129.
    By moving away from the traditional reductionist reading of the quantum theory of atoms in molecules, in this paper we analyze the role played by QTAIM in the relationship between molecular chemistry and quantum mechanics from an emergentist perspective. In particular, we show that such a relationship involves two steps: an intra-domain emergence and an inter-domain emergence. Intra-domain emergence, internal to quantum mechanics, results from the fact that the electron density, from which all the other QTAIM’s concepts are defined, arises (...)
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  • QTAIM as a research programme: a reply to Shahbazian. [REVIEW]Hinne Hettema - 2013 - Foundations of Chemistry 15 (3):335-341.
    In this paper I briefly reply to Shant Shahbazian’s comments on my paper “Austere quantum mechanics as a reductive basis for chemistry” and argue that quantum theory of atoms in molecules can be characterised as a research programme in the theories of chemistry. I also explore the areas in which Shahbazian and me agree and disagree.
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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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  • What does shape a topological atom?Hamidreza Joypazadeh & Shant Shahbazian - 2013 - Foundations of Chemistry 16 (1):63-75.
    In this pedagogical communication after demonstrating the legitimacy for using the quantum theory of atoms in molecules (QTAIM) to non-Coulombic systems, Hookean H2 +/H3 2+ species are used for AIM analysis. In these systems, in contrast to their Coulombic counterparts, electron density is atom-like and instead of expected two/three topological atoms, just a single topological atom emerges. This observation is used to demonstrate that what is really “seen” by the topological analysis of electron densities is the clustering of electrons. The (...)
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  • Comment on “Austere quantum mechanics as a reductive basis for chemistry”.Shant Shahbazian - 2013 - Foundations of Chemistry 15 (3):327-334.
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