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Coarse Graining and the Quantum Theory of Atoms in Molecules
This chapter explores the role played by the Quantum Theory of Atoms in Molecules (QTAIM) in the relation between molecular chemistry and quantum...
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On the nature of quantum-chemical entities: the case of electron density
An Aristotelian philosophy of nature offers an alternative to reduction for the conception of the inter-theoretical relationships between molecular...
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Two-step emergence: the quantum theory of atoms in molecules as a bridge between quantum mechanics and molecular chemistry
By moving away from the traditional reductionist reading of the quantum theory of atoms in molecules (QTAIM), in this paper we analyze the role...
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Quantum Mechanics and Molecular Structure
In this paper I examine the relationship between quantum mechanics and ideas of structure in chemistry, including the chemical bond. Without...
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How Chemical Is Quantum Chemistry?
This chapter is an exploration of the applicability of quantum chemistry to central aspects of chemical knowledge like the concept of chemical bond...
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Relational quantum mechanics, causal composition, and molecular structure
Franklin and Seifert (2021) argue that solving the measurement problem of quantum mechanics (QM) also answers a question central to the philosophy of...
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The Elimination of the Holism-Reductionism Dichotomy Through the Analysis of Quantum Chemistry
The starting point of this chapter is the investigation of quantum chemistry as it is practised in research laboratories. To do so, we investigate...
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On the Ontological Status of Molecular Structure: Is it Possible to Reconcile Molecular Chemistry with Quantum Mechanics?
According to classical molecular chemistry, molecules have a structure, that is, they are sets of atoms with a definite arrangements in space and...
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Towards a Philosophy of Chemical Reactivity Through the Molecule in Atoms-of Concept
A novel non-classical mereological concept ( Molecule in Atoms - of ) built up by blending the Metaphysics of Xavier Zubiri and the Quantum Theory of...
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A new chapter in the problem of the reduction of chemistry to physics: the Quantum Theory of Atoms in Molecules
The problem of the reduction of chemistry to physics has been traditionally addressed in terms of classical structural chemistry and standard quantum...
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Model transfer and conceptual progress: tales from chemistry and biology
The dissemination of models across disciplinary lines has become a phenomenon of interest to philosophers of science. To account for this phenomenon,...
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Model templates: transdisciplinary application and entanglement
The omnipresence of the same basic equations, function forms, algorithms, and quantitative methods is one of the most spectacular characteristics of...
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Isomerism and decoherence
In the present paper we address the problem of optical isomerism embodied in the socalled “Hund’s paradox”, which points to the difficulty to account...
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Atoms and bonds in molecules and chemical explanations
The concepts of atoms and bonds in molecules which appeared in chemistry during the nineteenth century are unavoidable to explain the structure and...
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QTAIM as a research programme: a reply to Shahbazian
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...
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Beyond the orthodox QTAIM: motivations, current status, prospects and challenges
Recently, the author of this paper and his research team have extended the orthodox quantum theory of atoms in molecules (QTAIM) to a novel paradigm...
