We analyze the connections of Lavoisier system of nomenclature with Leibniz’s philosophy, pointing out to the resemblance between what we call Leibnizian and Lavoisian programs. We argue that Lavoisier’s contribution to chemistry is something more subtle, in so doing we show that the system of nomenclature leads to an algebraic system of chemical sets. We show how Döbereiner and Mendeleev were able to develop this algebraic system and to find new interesting properties for it. We pointed out the resemblances between (...) Leibniz program and Lavoisier legacy, particularly regarding the lingua philosophica for understanding and thinking Nature, in this particular case, chemistry. In the second part we discuss, from the linguistic viewpoint, how Lavoisian algebraic system may be taken further to build a language. We study the constituents of such a chemical language. Finally, we formalize some of the ideas here presented by using elements of network theory and discrete mathematics. (shrink)

Auguste Comte (1798–1857) is the founder of positivism, a philosophical and political movement which enjoyed a very wide diffusion in the second half of the nineteenth century. It sank into an almost complete oblivion during the twentieth, when it was eclipsed by neopositivism. However, Comte's decision to develop successively a philosophy of mathematics, a philosophy of physics, a philosophy of chemistry and a philosophy of biology, makes him the first philosopher of science in the modern sense, and his constant attention (...) to the social dimension of science resonates in many respects with current points of view. His political philosophy, on the other hand, is even less known, because it differs substantially from the classical political philosophy we have inherited. -/- Comte's most important works are (1) the Course on Positive Philosophy (1830-1842, six volumes, translated and condensed by Harriet Martineau as The Positive Philosophy of Auguste Comte); (2) the System of Positive Polity, or Treatise on Sociology, Instituting the Religion of Humanity, (1851-1854, four volumes); and (3) the Early Writings (1820-1829), where one can see the influence of Saint-Simon, for whom Comte served as secretary from 1817 to 1824. The Early Writings are still the best introduction to Comte's thought. In the Course, Comte said, science was transformed into philosophy; in the System, philosophy was transformed into religion. The second transformation met with strong opposition; as a result, it has become customary to distinguish, with Mill, between a “good Comte” (the author of the Course) and a “bad Comte” (the author of the System). Today's common conception of positivism corresponds mainly to what can be found in the Course. (shrink)

A personal account is presented for the present status of mathematical chemistry, with emphasis on non-numerical applications. These use mainly graph-theoretical concepts. Most computational chemical applications involve quantum chemistry and are therefore largely reducible to physics, while discrete mathematical applications often do not. A survey is provided for opinions and definitions of mathematical chemistry, and then for journals, books and book series, as well as symposia of mathematical chemistry.

The historical development of the electronic configuration model is traced and the status of the model with respect to quantum mechanics is examined. The successes and problems raised by the model are explored, particularly in chemical ab initio calculations. The relevance of these issues to whether chemistry has been reduced to quantum mechanics is discussed, as are some general notions on reduction.

In the problem of the relationship between chemistry and physics, many authors take for granted the ontological reduction of the chemical world to the world of physics. The autonomy of chemistry is usually defended on the basis of the failure of epistemological reduction: not all chemical concepts and laws can be derived from the theoretical framework of physics. The main aim of this paper is to argue that this line of argumentation is not strong enough for eliminate the idea of (...) a hierarchical dependence of chemistry with respect to physics. The rejection of the secondary position of chemistry and the defense of the legitimacy of the philosophy of chemistry require a radically different philosophical perspective that denies not only epistemological reduction but also ontological reduction. Only on the basis of a philosophically grounded ontological pluralism it is possible to accept the ontological autonomy of the chemical world and, with this, to reverse the traditional idea of the ‘superiority’ of physics in the context of natural sciences. (shrink)

Mathematical chemistry is often thought to be a 20th-century subdiscipline of chemistry, but in this paper we discuss several early chemical ideas and some landmarks of chemistry as instances of the mathematical way of thinking; many of them before 1900. By the mathematical way of thinking, we follow Weyl's description of it in terms of functional thinking, i.e. setting up variables, symbolizing them, and seeking for functions relating them. The cases we discuss are Plato's triangles, Geoffroy's affinity table, Lavoisier's classification (...) of substances and their relationships, Mendeleev's periodic table, Cayley's enumeration of alkanes, Sylvester's association of algebra and chemistry, and Wiener's relationship between molecular structure and boiling points. These examples show that mathematical chemistry has much more than a century of history. (shrink)

Given the rich diversity of research fields usually ascribed to chemistry in a broad sense, the present paper tries to dig our characteristic parts of chemistry that can be conceptually distinguished from interdisciplinary, applied, and specialized subfields of chemistry, and that may be called chemistry in a very narrow sense, or 'the chemical core of chemistry'. Unlike historical, ontological, and 'anti-reductive' approaches, I use a conceptual approach together with some methodological implications that allow to develop step by step a kind (...) of cognitive architecture for chemistry, which basically contains: (1) systematic chemical knowledge on the experimental level; (2) clarification of chemical species; (3) chemical classification systems; (4) theoretical foundation through the chemical theory of structural formulas. In a succeeding paper the results will be checked for resisting physicalistic reduction. (shrink)

Differing views on reduction are briefly reviewed and a suggestion is made for a working definition of 'approximate reduction'. Ab initio studies in quantum chemistry are then considered, including the issues of convergence and error bounds. This includes an examination of the classic studies on CH2 and the recent work on the Si2C molecule. I conclude that chemistry has not even been approximately reduced.

I claim that the question of whether chemistry is reduced to quantum mechanics is more ambiguous and multi-faceted than generally supposed. For example, chemistry appears to be both reduced and not reduced at the same time depending on the perspective that one adopts. Similarly, I argue that some conceptual issues in quantum mechanics are ambiguous and can only be laid to rest by embracing paradox and ambiguity rather than regarding them as obstacles to be overcome. Recent work in the reduction (...) of chemistry is also reviewed, including discussions of the ontological reduction of chemistry and the question of the emergence of chemistry from physics. (shrink)

A major obstacle to chemistry being a deductive science is that its core concepts very often are defined in a circular manner: it is impossible to explain what an acid is without reference to the complementary concept of a base. There are many such dual pairs among the core concepts of chemistry. Such circulation of concepts, rather than an infirmity chemistry is beset with, is seen as a source of vitality and dynamism.