The paper examines critically some recently published views by Ramsey on the contrast between ab initio and parametrized theories. I argue that, all things being equal, ab initio calculations are indeed regarded more highly in the physics and chemistry communities. A case study on density functional approaches in theoretical chemistry is presented in order to re‐examine the question of ab initio and parametrized approaches in a contemporary context.

In the 1940s and 1950s, nuclear magnetic resonance , one of the most important analytical techniques in chemistry, grew to maturity in the intermediate research field of chemical physics. Chemists and physicists adapted the new technology to the experimental culture of molecular spectroscopy which was based on a pragmatic experimental style. In molecular spectroscopy, the purpose of experiments was the establishment of methods that suited both the physicists' quest for precision and theoretical model building and the chemists' longing for empirical (...) data and understanding of structural formulae and reaction courses. In this process, an experimental style emerged that can be characterized as reliance on self‐built instrumentation, theoretical foundation in quantum mechanics, and proof of utility in the solution of structural and dynamical questions. This article focuses on the early development of NMR at Harvard University, with particular emphasis on the contributions of the first chemist working in the field of NMR, Herbert S. Gutowsky. (shrink)

Chemistry and physics are two sciences that are hard to connect. Yet there is significant overlap in their aims, methods, and theoretical approaches. In this book, the reduction of chemistry to physics is defended from the viewpoint of a naturalised Nagelian reduction, which is based on a close reading of Nagel's original text. This naturalised notion of reduction is capable of characterising the inter-theory relationships between theories of chemistry and theories of physics. The reconsideration of reduction also leads to a (...) new characterisation of chemical theories. This book is primarily aimed at philosophers of chemistry and chemists with an interest in philosophy, but is also of interest to the general philosopher of science. (shrink)

This monograph deals with the interrelationship between chemistry and physics, and especially the role played by quantum chemistry as a theory in between these two disciplines. The author uses structuralist approach to explore the overlap between the two sciences, looking at their theoretical and ontological borrowings as well as their continuity. -/- The starting point of this book is that there is at least a form of unity between chemistry and physics, where the reduction relation is conceived as a special (...) case of this unity. However, matters are never concluded so simply within philosophy of chemistry, as significant problems exist around a number of core chemical ideas. Specifically, one cannot take the obvious success of quantum theories as outright support for a reductive relationship. Instead, in the context of a suitably adapted Nagelian framework for reduction, modern chemistry's relationship to physics is constitutive. The results provided by quantum chemistry, in particular, have significant consequences for chemical ontology. This book is ideal for students, scholars and academics from the field of Philosophy of Science, and particularly for those with an interest in Philosophy of Chemistry and Physics. (shrink)

Traditional philosophy of science regards theoretical reasoning, based on the example of Euclidian geometry, as the hallmark of a mature science. There is, however, a parallel tradition of practical reasoning based on specific cases that goes back to Aristotle. In this paper I argue that practical reasoning is an essential part of the practice of chemistry and should be understood and appreciated on its own merits rather than regarded as a symbol of the immaturity and inferiority of chemistry as a (...) science. (shrink)

This book reflects on the significant and highly original scientific contributions of Hans Primas. A professor of chemistry at ETH Zurich from 1962 to 1995, Primas continued his research activities until his death in 2014. Over these 50 years and more, he worked on the foundations of nuclear magnetic resonance spectroscopy, contributed to a number of significant issues in theoretical chemistry, helped to clarify central topics in quantum theory and the philosophy of physics, suggested innovative ways of addressing interlevel relations (...) in the philosophy of science, and introduced cutting-edge approaches in the flourishing young field of scientific studies of consciousness. His work in these areas of research and its continuing impact is described by noted experts, colleagues, and collaborators of Primas. All authors contextualize their contributions to facilitate the mutual dialog between these fields. (shrink)

SummaryThe convening of the first three Solvay Chemistry Conferences in Brussels from 1922–1928 marked an important turning point for the discipline of chemistry. Whereas much of nineteenth-century chemical endeavour had focused on compositional and functional analysis of chemical compounds, many leaders in chemistry were turning to questions of molecular dynamics by the early twentieth century. Two competing schools of chemical dynamics, which were represented at the Solvay Conferences, were a predominantly English group (Lowry, Lapworth, Robinson, Ingold) who worked out electron (...) and ionic interpretations of organic reaction mechanisms, and a French group (Perrin, Job) who developed a generalized radiation hypothesis of reaction activation. While differences in conceptual and stylistic approach separated the two schools, they agreed on the need to apply contemporary physical theory to old chemical problems, and to develop a theoretical chemistry complementary to theoretical physics. (shrink)

Discussing the relationship of mathematics to chemistry is closely related to the emergence of physical chemistry and of quantum chemistry. We argue that, perhaps, the most significant issue that the 'mathematization of chemistry' has historically raised is not so much methodological, as it is philosophical: the discussion over the ontological status of theoretical entities which were introduced in the process. A systematic study of such an approach to the mathematization of chemistry may, perhaps, contribute to the realist/antirealist debate. To (...) this end, in this paper we briefly discuss Lewis' introduction of fugacity and activity to his chemical thermodynamics and more fully analyze the issues surrounding the appropriation of resonance by Linus Pauling into quantum chemistry, particularly as these issues arose in organic chemistry as discussed by George W. Wheland. (shrink)

Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in (...) physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts: I. Fundamental Theory II. Molecular Processes III. Molecular Structure IV. Molecular Properties V. Condensed Matter VI. Biosystems. Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is written for advanced graduate students as well as for professionals in theoretical chemical physics and physical chemistry. The book covers current scientific topics in molecular, nano, material, and bio sciences and provides insights into methodological developments and applications of quantum theory in physics, chemistry, and biology that have become feasible at end of 2011. (shrink)

The ArgumentDuring the nineteenth century, physicists and chemists, using different linguistic modes of expression, sought to describe the world for different purposes; thus, both disciplines gradually were nudged toward demarcation and self-image identification. In the course of doing so the rich complexity of the empire of chemistry was born. The essential challenge was closely connected with analysis, synthesis, and chemical process: learning the art ofwatchingsubstances change andmakingsubstances change. Pursued in theory-poor and phenomenology-rich contexts chemistry nevertheless made itself intellectually, professionally, societally, (...) and industrially creditable and attractive. The developing links between physics and chemistry are examined in this paper from the perspective of the discipline of chemistry more specifically than from the side of physics. Chemists came to believe that essentially physics was no more than mechanics. All else belonged to the domain of chemistry.Not before the last decades of the century were firm collaborative links and genuine reciprocity fostered between physics and chemistry, and then primarily on account of the common utility of scientific research tools. At a more fundamental level physics and chemistry, in contradistinction to all the other natural sciences, experienced partial overlap and convergence because of unique mutual reliance on the construction of systems each according to its own theoretical conceptions. Still amalgamation was unthinkable. Eventually physical chemistry was loosened from chemistry in the same way that, somewhat later, chemical physics was emancipated from physics. The intrinsic messiness of chemistry, one might suggest, tends more readily to foster Bohr's opinion that “there is no rock bottom to the study of nature,” rather than Einstein's view that “we can realistically, ultimately, put it all together.”. (shrink)

In the philosophy of chemistry a view is developed according to which laws of nature and scientific theories are peculiar in chemistry. This view was criticized in an earlier issue of the Foundations of Chemistry (Vihalemm, Foundation of Chemistry 5(1): 7–22, 2003) referring to an essay by Maureen and John Christie (Christie and Christie, in N. Bushan and S. Rosenfeld (Eds.), Of Minds and Molecules: New Philosophical Perspectives on Chemistry. Oxford University Press, New York, 2000, pp. 34–50). This criticism was (...) responded by the Christies (Christie and Christie, Foundations of Chemistry 5(2): 165–177, 2003). In the present article the debate is continued. The main issues which need to be elucidated in order to carry the analysis forward are pointed out and discussed. The relevance of a theoretical model of science for the philosophy of chemistry is stressed. (shrink)

Henry Eyring's absolute rate theory explains the size of chemical reaction rate constants in terms of thermodynamics, statistical mechanics, and quantum chemistry. In addition it uses a number of unique concepts such as the 'transition state'. A key feature of the theory is that the explanation it provides relies on the comparison of reaction rate constant expressions derived from these individual theories. In this paper, the example is used to develop a naturalized notion of reduction and the unity of science. (...) This characterization provides the necessary clues to the sort of inter-theoretic linkages that are present in the theory of reaction rates. The overall theory is then further characterized as a theory network, establishing connections between non-reductive notions of inter-theory connections. This characterization also sheds new light on the unity of science. (shrink)

Recent publications by several leading philosophers of chemistry have focused on the definition, scope, utility, and nomenclature of issues dealing with acidity and basicity. In this paper, molecular orbital theory is used to explain all acid–base reactions, concluding that the interaction of the highest occupied molecular orbital (HOMO) of one substrate, “the base,” with the lowest unoccupied molecular orbital (LUMO) of a second substrate, “the acid,” determines the reactivity of such systems. This paradigm provides an understanding of all acid–base reactions (...) as well as other reactions which, on the surface, may not seem like acid–base reactions but which have fundamental underpinnings of that kind of chemistry. Rather than being unable to determine a unified understanding of acidity and basicity as suggested in the philosophy of chemistry literature, we propose that acidity and basicity fit securely in a classification of many other reactions that, using classical chemistry knowledge, pre-quantum chemistry, would not be possible. We strongly support the use of all scientific knowledge and experience in the development of the ideas in the philosophy science. We further suggest increased interactions between philosophers of science and scientists, so that all scholars benefit from the values, knowledge, and perspectives of other disciplines. (shrink)

In this paper I expand Eric Scerri’s notion of Popper’s naturalised approach to reduction in chemistry and investigate what its consequences might be. I will argue that Popper’s naturalised approach to reduction has a number of interesting consequences when applied to the reduction of chemistry to physics. One of them is that it prompts us to look at a ‘bootstrap’ approach to quantum chemistry, which is based on specific quantum theoretical theorems and practical considerations that turn quantum ‘theory’ into quantum (...) ‘chemistry’ proper. This approach allows us to investigate some of the principles that drive theory formation in quantum chemistry. These ‘enabling theorems’ place certain limits on the explanatory latitude enjoyed by quantum chemists, and form a first step into establishing the relationship between chemistry and physics in more detail. (shrink)

The philosophical analysis of chemistry has advanced at such a pace during the last dozen years that the existence of philosophy of chemistry as an autonomous discipline cannot be doubted any more. The present paper will attempt to analyse the experience of philosophy of chemistry at the, so to say, meta-level. Philosophers of chemistry have especially stressed that all sciences need not be similar to physics. They have tried to argue for chemistry as its own type of science and for (...) a pluralistic understanding of science in general. However, when stressing the specific character of chemistry, philosophers do not always analyse the question ‘What is science?’ theoretically. It is obvious that a ‘monistic’ understanding of science should not be based simply on physics as the epitome of science, regarding it as a historical accident that physics has obtained this status. The author’s point is that the philosophical and methodological image of science should not be chosen arbitrarily; instead, it should be theoretically elaborated as an idealization (theoretical model) substantiated on the historical practice of science. It is argued that although physics has, in a sense, justifiably obtained the status of a paradigm of science, chemistry, which is not simply a physical science, but a discipline with a dual character, is also relevant for elaborating a theoretical model of science. The theoretical model of science is a good tool for examining various issues in philosophy of chemistry as well as in philosophy of science or science studies generally. (shrink)

After Heitler and London published their pioneering work on the application of quantum mechanics to chemistry in 1927, it became an almost unquestioned dogma that chemistry would soon disappear as a discipline of its own rights. Reductionism felt victorious in the hope of analytically describing the chemical bond and the structure of molecules. The old quantum theory has already produced a widely applied model for the structure of atoms and the explanation of the periodic system. This paper will show two (...) examples of the entry of quantum physics into more classical fields of chemistry: inorganic chemistry and physical chemistry. Due to their professional networking, George Hevesy and Michael Polanyi found their ways to Niels Bohr and Fritz London, respectively, to cooperate in solving together some problems of classical chemistry. Their works on rare earth elements and adsorption theory throws light to the application of quantum physics outside the reductionist areas. They support the heuristic and persuasive value of quantum thinking in the 1920–1930s. Looking at Polanyi’s later oeuvre, his experience with adsorption theory could be a starting point of his non-justificationist philosophy. (shrink)

Organic chemists have been able to develop a robust, theoretical understanding of the phenomena they study; however, the primary theoretical devices employed in this field are not mathematical equations or laws, as is the case in most other physical sciences. Instead it is diagrams, and in particular structural formulas and potential energy diagrams, that carry the explanatory weight in the discipline. To understand how this is so, it is necessary to investigate both the nature of the diagrams employed in (...) organic chemistry and how these diagrams are used in the explanations of the discipline. I will begin this paper by characterizing some of the major ways that structural formulas used in organic chemistry. Next I will present a model of the explanations in organic chemistry and describe how both structural formulas and potential energy diagrams contribute to these explanations. This will be followed by several examples that support my abstract account of the role of diagrams in the explanations of organic chemistry. In particular, I will consider both the appeal to ‘hyperconjugation’ in the explanation of alkene stability and how the idea of ‘ring strain’ was developed to explain the relative stability of cyclic compounds. (shrink)

In this essay I consider whether the theory of organic chemistry is reducible to the theory of quantum chemistry. Using philosophical machinery developed by James Woodward, I characterize the understanding provided by both theories. Then I argue that there are systematic reasons to suspect that quantum chemistry is incapable of supporting some of the significant explanations, predictions, and applications underwritten by an understanding of theoretical organic chemistry. Consequently, even should quantum chemistry be ‘reducible to’ quantum physics in some suitable sense, (...) there are good reasons to doubt that many of the significant results of organic chemistry could be reproduced by quantum chemistry alone. (shrink)

Organic chemists have been able to develop a robust, theoretical understanding of the phenomena they study; however, the primary theoretical devices employed in this field are not mathematical equations or laws, as is the case in most other physical sciences. Instead it is the diagram, and in particular the structural formula, that carries the explanatory weight in the discipline. To understand how this is so, it is necessary to investigate both the nature of the diagrams employed in organic chemistry (...) and how these diagrams are used in the explanations of the discipline. I will begin this paper by describing and characterizing the roles of the most important sort of diagram used in organic chemistry. Next I will present a model of explanations in organic chemistry and describe how diagrams contribute to these explanations. This will be followed by two examples that will support my abstract account of the role of diagrams in the explanations of organic chemistry. (shrink)

This NATO Advanced Study Institute centered on large-scale molecular systems: Quantum mechanics, although providing a general framework for the description of matter, is not easily applicable to many concrete systems of interest; classical statistical methods, on the other hand, allow only a partial picture of the behaviour of large systems. The aim of the ASI was to present both aspects of the subject matter and to foster interaction between the scientists working in these important areas of theoretical physics and theoretical (...) chemistry. The quantum-mechanical part was mostly based on the operator-algebraic formulation of quantum mechanics and comprised quantum statistics of infinite systems with special em phasis on macroscopic observables, equilibrium conditions, irreversibility on the one hand, symmetry breaking for molecules in the radiation field and macroscopic quantum phenomena in the theory of superconductivity (BCS-theory) on the other hand. In addition, phase-space methods for many-body systems were also presented. Statistical physics was the main topic in the other lectures of the School; much emphasis was put on the statistical features of macros copic ("large") systems, the lectures dealt with mass and energy transport im polymers, in gels and in microemulsions, with aggregation and growth phenomena, with relaxation in complex, correlated systems, with conduction and optical properties of polymers, and with the means of describing disordered systems, above all fractals and related hierarchical models. (shrink)

This paper investigates the interface between philosophy and biochemistry. While it is problematic to justify the application of a particular philosophical model to biochemistry, it seems to be even more difficult to develop a special “Philosophy for Biochemistry”. Alternatively, philosophy can be used in biochemistry based on an alternative approach that involves an interdependent iteration process at a philosophical and (bio)chemical level (“Exeter Method”). This useful iteration method supplements more abstract approaches at the interface between philosophy and natural sciences, and (...) serves the biochemical community to systematically locate logical inconsistencies that arise from more theoretical aspects of the scientific process. Initial cycles of this iteration process identify the in vitro–in vivo problem as a central epistemological difficulty in biochemical research. While previous attempts have generated ad hoc rules to mend the gap between chemistry, biochemistry and biology in order to justify in vitro experimentation, this paper concludes that in vitro experimentation is heavily based on chemistry and cannot derive definite statements about biological processes. It can, however, generate results that will influence the direction of future biological research. The consequence is that the relationship between in vitro and in vivo experimentation is more of a psychological or social one than of a logical nature. Apart from highlighting these inconsistencies in biochemical thinking (“problem awareness”), the Exeter Method demands an improvement of biochemical terminology that contains separate and unequivocally defined terms for in vitro and in vivo systems. (shrink)

Does chemistry reduce to physics? If this means ‘Can we derive the laws of chemistry from the laws of physics?’, recent discussions suggest that the answer is ‘no’. But sup posing that kind of reduction—‘epistemological reduction’—to be impossible, the thesis of ontological reduction may still be true: that chemical properties are determined by more fundamental properties. However, even this thesis is threatened by some objections to the physicalist programme in the philosophy of mind, objections that generalize to the chemical case. (...) Two objections are discussed: that physicalism is vacuous, and that nothing grounds the asymmetry of dependence which reductionism requires. Although it might seem rather surprising that the philosophy of chemistry is affected by shock waves from debates in the philosophy of mind, these objections show that there is an argumentative gap between, on the one hand, the theoretical connection linking chemical properties with properties at the sub-atomic level, and, on the other, the philosophical thesis of ontological reduction. The aim of this paper is to identify the missing premises (among them a theory of physical possibility) that would bridge this gap. Introduction: missing elements and the mystery of discreteness The refutation of physicalism A combinatorial theory of physical possibilia Combinatorialism and the Bohr model Objections The missing premises and a disanalogy with mind. (shrink)

The drastically increasing availability ofmodern computers coupled with the equally drasticallylower cost of a given amount of computer power inrecent years has resulted in the evolution of thetraditional experimental/theoretical dichotomy inchemistry into anexperimental/theoretical/computational trichotomy. This trichotomy can be schematically represented by atriangle with experimental,theoretical, and computational chemistry at the threevertices. The ET and EC edges of the ETC triangledepict the uses of theoretical and computationalchemistry, respectively, to predict and interpretexperimental results. The TC edge depicts therelationship between theoretical and computationalchemistry. Mathematics (...) plays an increasing role in allaspects of chemistry, particularly theoreticalchemistry, and has led to the evolution of thediscipline of mathematical chemistry. Research inmathematical chemistry can be considered to lie on achemistry-mathematics continuum depending on therelative depths of the underlying chemistry andmathematics. Examples of the author's own researchlying near each end of the chemistry-mathematicscontinuum include his work on applications of graphtheory and topology in inorganic coordination andcluster chemistry lying near the chemistry end and hiswork on chirality algebra lying near the mathematicsend. The general points in this essay are illustratedby an analysis of the roles of computational andtheoretical chemistry in developing an understandingof structure and bonding in deltahedral boranes andrelated carboranes. This work has allowed extensionof the concept of aromaticity from two dimensions asin benzene and other planar hydrocarbons to the thirddimension in deltahedral boranes. (shrink)

The "usual story" regarding molecular chemistry is that it is roughly an application of quantum mechanics. That is to say, quantum mechanics supplies everything necessary and sufficient, both ontologically and epistemologically, to reduce molecular chemistry to quantum mechanics. This is a reductive story, to be sure, but a key explanatory element of molecular chemistry, namely molecular structure, is absent from the quantum realm. On the other hand, typical characterizations of emergence, such as the unpredictability or inexplicability of molecular structure based (...) on quantum mechanics, do not characterize the relationship between molecular chemistry and quantum mechanics well either. A different scheme for characterizing reduction and emergence is proposed that accommodates the relationship between quantum mechanics and molecular chemistry and some initial objections to the scheme are considered. (shrink)

This book addresses a wide range of topics relating to the properties and behavior of condensed matter under extreme conditions such as intense magnetic and electric fields, high pressures, heat and cold, and mechanical stresses. It is divided into four sections devoted to condensed matter theory, molecular chemistry, theoretical physics, and the philosophy and history of science. The main themes include electronic correlations in material systems under extreme pressure and temperature conditions, surface physics, the transport properties of low-dimensional electronic systems, (...) applications of the density functional theory in molecular systems, and graphene. The book is the outcome of a workshop held at the University of Catania, Italy, in honor of Professor Renato Pucci on the occasion of his 70th birthday. It includes selected invited contributions from collaborators and co-authors of Professor Pucci during his long and successful career, as well as from other distinguished guest authors. (shrink)

Chemical visualizations and models are special kinds of situated, inductive arguments. In this paper, I examine several historical case studies—an archive of images from museums, special collections, and popular magazines—as examples of emergent practices of physical modeling as theoretical play which became the basis for molecular biology and structural chemistry. Specifically, I trace a legacy of visualization tools that starts with Archibald Scott Cooper and Friedrich Kekulé in the late 1800s, crystallizes as material manipulatives in Kekulé’s student Jacobus Henricus (...) Van’t Hoff and his folded paper “toys,” is legitimized in the California lab of Linus Pauling, and is glorified in the popular imaginary with James Watson and Francis Crick’s model of DNA. My tracing then follows several threads into contemporary modeling practices. I ultimately argue that modeling play, originally outside of the boundary of deductive, positivist science, is now an accepted mode of inductive reasoning in these related chemical fields. (shrink)

At the heart of chemistry lies the periodic system of chemical elements. Despite being the cornerstone of modern chemistry, the overall structure of the periodic system has never been fully understood from an atomic physics point of view. Group-theoretical models have been proposed instead, but they suffer from several limitations. Among others, the identification of the correct symmetry group and its decomposition into subgroups has remained a problem to this day. In an effort to deepen our limited understanding of the (...) periodic law, we have extended the traditional Lie algebraic framework to account for the peculiar degeneracy structure of the periodic system. Starting from the four-dimensional hidden symmetry and accidental degeneracy of the hydrogen atom, as first revealed by Fock in 1935, our research has mainly focussed on the way this SO(4) symmetry of the Coulomb potential gets broken in the periodic system as a consequence of the transformation of the hydrogenic (n, l) filling order to the Madelung (n+l, n) order due to electronic repulsions, relativistic effects and spin-orbit couplings. In this PhD dissertation, a new left-step format of the periodic table is first proposed on the basis of the Madelung rule. Following the particle physics tradition, the chemical elements are then considered as various states of some 'atomic matter', which is described by a non-compact spectrum-generating dynamical Lie group. The chemical elements are shown to form a basis for a single infinite-dimensional degeneracy space of the SO(4,2) ⊗ SU(2) group. An explanation for the period doubling is then proposed in terms of a particular symmetry breaking of the SO(4,2) group to the anti de Sitter SO(3,2) group. The Madelung rule is rationalised on the basis of nonlinear Lie algebras which reflect the screening of the Coulomb hole. This opens new perspectives for a symmetry-based understanding of how the periodic law emerges from its quantum mechanical foundations, and holds the future promise of complementing our current phenomenological approach by a direct atomic physics approach. (shrink)

The article summarizes the theoretical and methodological knowledge about ecotourism as one of the viable types of tourism in the postmodern era, clarifies the patterns of its formation and development, a variety of approaches to its interpretation, interaction with other types of tourism, features of motivation and management in ecotourism. On the basis of the generalized data a number of perspective educational conditions is modeled: the orientation of the maintenance of pedagogical education on formation of steady positive motivation; updating the (...) content of professional training; availability of educational and methodical support; interrelation of competence, system and personal-activity approaches. Diagnostic methods relevant for postmodern education are selected: methods of diagnosing students' learning motivation; methods of diagnosis of value orientations in career; tests to determine the levels of formation of the components of professional competence. It is proved that the professional training of teachers who are able to use ecological tourism in their professional activities at a high level is one of the important conditions for increasing the interest of children and young people in physical education, tourism and sports, ensuring the necessary physical activity, developing, maintaining and strengthening their health, adaptation to the flexible postmodern society. (shrink)

Manfred Eigen extended Erwin Schroedinger’s concept of “life is physics and chemistry” through the introduction of information theory and cybernetic systems theory into “life is physics and chemistry and information.” Based on this assumption, Eigen developed the concepts of quasispecies and hypercycles, which have been dominant in molecular biology and virology ever since. He insisted that the genetic code is not just used metaphorically: it represents a real natural language.However, the basics of scientific knowledge changed dramatically within the second half (...) of the 20th century.Unfortunately, Eigen ignored the results of the philosophy of science discourse on essential features of natural languages and codes: a natural language or code emerges from populations of living agents that communicate. This contribution will look at some of the highlights of this historical development and the results relevant for biological theories about life. (shrink)

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 (...) by providing a rigorous definition of chemical bond and of atoms in a molecule, it appeals to concepts that are unacceptable in the quantum–mechanical context. Therefore, the QTAIM fails to provide the desired reduction. On the other hand, we will show that the QTAIM is more similar to Bohmian mechanics and that the basic elements of both theories are closely related. (shrink)

Traditional nomological accounts of scientific explanation have assumed that a good scientific explanation consists in the derivation of the explanandum’s description from theory (plus antecedent conditions). But in more recent philosophy of science the adequacy of this approach has been challenged, because the relation between theory and phenomena in actual scientific practice turns out to be more intricate. This critique is here examined for an explanatory paradigm that was groundbreaking for 20th century physics and chemistry (and their interrelation): Bohr’s first (...) model of the atom and its explanatory relevance for the spectrum of hydrogen. First, the model itself is analysed with respect to the principles and assumptions that enter into its premises. Thereafter, the origin of the model’s explanandum is investigated. It can be shown that the explained “phenomenon” is itself the product of a host of modelling accomplishments that stem from an experimental tradition related to 19th century chemistry, viz. spectroscopy. The relation between theory and phenomenon is thus mediated in a twofold way: by (Bohr’s) theoretical model and a phenomenological model from spectroscopy. In the final section of the paper an account is outlined that nevertheless permits us to acknowledge this important physico-chemical achievement as a case of (nomological) explanation. (shrink)

Based upon the demarcation between Elementalism and Atomism Chemistry from the perspective of the long-term history of chemistry, the authors re-examine the Berthollet-Proust controversy on the three types of chemical compounds, pointing out that Berthollet proposed the law of indefinite proportions by deduction, while Proust proposed the law of definite proportions by induction. The controversy is beyond the framework of affinity chemistry and entail a synthesis of meta-chemical thinking and experiments. Proust’s discovery of the law of definite proportions not only (...) function as Bacon’s “instances of lamp” to invoke Dalton and other atomism chemists to envision atomism, but also served as a bridge linking the two meta-chemistries. John Dalton, the third choice, envisioned his atomism by abduction. The case study on “the Berthollet-Proust controversy and Dalton’s resolution” mandates a reinvestigation of the crucial role of the system of experiments and the evolution of chemistry according to the demarcation between the established branches of Elementalism and Atomism Chemistry. (shrink)

The paper deals with the philosophy of science and technology from a new perspective. The analysis connects closely to the novel approach to scientific research called practical realism of the late Estonian philosopher of science and chemistry Rein Vihalemm. From his perspective, science is not only theoretical but even more clearly a practical activity. This kind of practice-based approach puts chemistry rather than physics into the position of the most typical science as chemistry has a dual character resting on both (...) constructive-hypothetico-deductive and classifying-historico-descriptive types of cognition. Chemists deal with finding out the laws of nature just like the physicists do. However, in addition to this chemistry deals with substances or stuff that is rather an activity typical to natural history. The analysis of the dual character of chemistry brings forward the need to analyse philosophically also the reasons why physics has held the position of the model science so far. The problem unfolds in the context of practical realism. However, some earlier observations concerning the dual character of chemistry influenced us as well, i.e. by Friedrich Paneth, Michael Polanyi and Edward Caldin. More recently, Bernadette Bensaude-Vincent and Jonathan Simon have given their own explanation of why and how chemistry has a dual character. From their perspective, chemistry is a perfect technical science as it aims at applications, literally at producing something new. Bensaude-Vincent and Simon call their approach operational realism. The latter, however, does not differ from practical realism. (shrink)

In 1912, Henri Poincaré published an argument which apparently shows that the hypothesis of quanta is both necessary and sufficient for the truth of Planck''s experimentally corroborated law describing the spectral distribution of radiant energy in a black body. In a recent paper, John Norton has reaffirmed the authority of Poincarés argument, setting it up as a paradigm case in which empirical data can be used to definitively rule out theoretical competitors to a given theoretical hypothesis. My goal is to (...) dispute Norton ''s claim that there is no theoretical underdetermination problem arising between classical physics and early quantum theory. The strategy I use in defending my view is to adopt a suggestion made by Jarrett Leplin and Larry Laudan on how to assess the relative merits of competing theoretical alternatives, where each alternative has an equal capacity to save the phenomena. In the course of the paper, I distinguish between two branches of classical physics: classical mechanics and classical electromagnetism. The former is claimed by Norton and Poincaré to be determinately ruled out by the black body evidence; and it is the former that I argue is compatible with this evidence. (shrink)

Ideograms have great communicative value. They refer to concepts in a simple manner, easing the understanding of related ideas. Moreover, ideograms can simplify the often cumbersome notation used in the fields of Physics and physical Chemistry. Nonetheless only a few ideograms—like \ and Å—have been defined to date. In this work we propose that the scientific community follows the example of Mathematics—as well as that of oriental languages—and bestows a more important role upon ideograms. To support this thesis we (...) propose ideograms for essential concepts in Physics and Chemistry. They are designed to be intuitive, and their goal is to make equations easier to read and understand. Our symbols are included in a publicly available package. (shrink)

A review of the chemical education research literature suggests that the term constructivism is used in two ways: experience-based constructivism and discipline-based constructivism. These two perspectives are examined as an epistemology in relation to the teaching and learning of the concept of idealization in chemistry. It is claimed that experience-based constructivism is powerless to inform the origin of such concepts in chemistry and while discipline-based constructivism can admit such theoretical concepts as idealization it does not offer any unique perspectives that (...) cannot be obtained from other models. Chemical education researchers do not consistently appeal to constructivism as an epistemology or as a teaching/learning perspective and it is shown that, while it draws attention to worthwhile teaching/learning strategies, it cannot be considered as foundational to chemical education research and tends to be used more as an educational label than as an undergirding theory. (shrink)

Ellis argues that certain essential properties of objects in the world not only determine the nature of these objects but also how they will behave in any situation. In this paper I will critique Ellis's essentialism from the perspective of the philosophy of chemistry, arguing that our current knowledge of chemistry in fact does not lend itself to essentialist interpretations and that this seriously undercuts Ellis's project. In particular I will criticize two key distinctions Ellis draws between internal vs. external (...) properties and essential vs. accidental properties, showing that at the chemical level such distinctions are insupportable. If essential properties only exist at the level of sub-atomic physics, then Ellis's hopes that essentialism will provide a theoretical basis for a philosophy of chemistry are at best hopes for a very distant future, since the argument that chemical structure and dynamics can be explained at the quantum level derived is purely from analogy to much simpler systems than those chemists actually study. This suggests that we have very little scientific evidence that scientific essentialism is a viable ontology. †To contact the author, please write to: Department of Philosophy, University of Notre Dame, Notre Dame, IN 46556; e-mail: [email protected]. (shrink)

In several works, Ruth Millikan has developed a ‘teleosemantic’ theory of concepts. Millikan’s theory has three explicit desiderata for concepts: wide scope, non-descriptionist content, and naturalism. I contend that Millikan’s theory cannot fulfill all of these desiderata simultaneously. Theoretical concepts, such as those of chemistry and physics, fall under Millikan’s intended scope, but I will argue that her theory cannot account for these concepts in a way that is compatible with both non-descriptionism and naturalism. In these cases, Millikan’s view is (...) subject to the traditional ‘indeterminacy problem’ for teleosemantic theories. This leaves the content of theoretical concepts indeterminate between a descriptionist and non-descriptionist content. Furthermore, this problem cannot be overcome without giving up the naturalism desideratum. I suggest that the scope of Millikan’s theory should be limited. At best, the theory will be able to attribute naturalistic, non-descriptionist content to a smaller range of concepts. (shrink)

In this paper we will discuss some of the issues related to the attempts of Ralph Howard Fowler and Nevil Vincent Sidgwick to create a legitimizing space for quantum and theoretical chemistry in Britain. Although neither Fowler nor Sidgwick made original contributions to quantum chemistry, they followed closely the developments in the discipline, participated in meetings and discussions and delivered lectures, talks and addresses, where methodological topics, ontological questions and implicitly the problem of autonomy of the new discipline vis-à-vis both (...) physics and chemistry were taken to be pressing issues. In particular, they encouraged young people to work within the nascent discipline. Viewing quantum chemistry as a branch of applied mathematics became an emblematic characteristic of the practice of the new discipline in Great Britain. (shrink)

This book explains how limitations in the movement and perception of information constrain human behavior, cognition, interaction, and perspective. How fast can we learn? How much? Why are habits and biases unavoidable? Aspects considered include: how much information can one human absorb in a lifetime? How far does a process of perturbation propagate? How do specialization or generalization, critical thinking or belief, influence what people accomplish? It is aimed at general readers and scientists with an interest in how limitations of (...) the physical sciences affect society and human behavior. (shrink)