Mulliken proposed an Aufbauprinzip for the molecules on the basis of molecular spectroscopy while establishing, point by point, his concept of molecular orbit. It is the concept of electronic state which becomes the lever for his attribution of electronic configurations to a molecule. In 1932, the concept of orbit was transmuted into that of the molecular orbital to integrate the probabilistic approach of Born and to achieve quantitative accuracy. On the basis of the quantum works of Hund, Wigner, Lennard-Jones and (...) group theory, he suggested the fragment method to establish the characteristics of molecular orbital for polyatomic molecules. These developments make it possible to bring elements of thought on the relation between a molecular whole and its parts . An operational realism combined with the second law of thermodynamics can pave the way for interesting tracks in the mereological study of chemical systems. (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.

. Heuristic is a central concept of Lakatos' philosophy both in his early works and in his later work, the methodology of scientific research programs. The term itself, however, went through significant change of meaning. In this paper I study this change and the ‘metaphysical’ commitments behind it. In order to do so, I turn to his mathematical heuristic elaborated in Proofs and Refutations. I aim to show the dialogical character of mathematical knowledge in his account, which can open a (...) door to hermeneutic studies of mathematical practice. (shrink)

I propose that a sociological and historical examination of nanotechnologists can contribute more to an understanding of nanotechnology than an ontological definition. Nanotechnology emerged from the convergent evolution of numerous "technical knowledge communities"-networks of tightly-interconnected people who operate between disciplines and individual research groups. I demonstrate this proposition by sketching the co-evolution of computational chemistry and computational nanotechnology. Computational chemistry arose in the 1950s but eventually segregated into an ab initio, basic research, physics-oriented flavor and an industry-oriented, molecular modeling and (...) visualization, biochemical flavor. Computational nanotechnology arose in the 1990s as a synthesis of these two subgroups, infused by people and practices from computational materials science, engineering, computer science, and elsewhere. I show that to understand the aims and outcomes of computational nanotechnology-and nanotechnology more generally-we need to understand relationships between different, but related, nano knowledge communities and their dependence on particular practices, artifacts, and theories. (shrink)

Lakatos is considered to be a Popperian who adapted his Hegelian-Marxist training to critical philosophy. I claim this is too narrow and misses Lakatos' goal of understanding scientific inquiry as heuristic inquiry—something he did not find in Popper, but found in Polanyi. Archival material shows that his ‘new method' struggled to overcome what he saw as the Popperian handicap, by using Polanyi.

In this paper I investigate two views of theoretical explanation in quantum chemistry, advocated by John Clarke Slater and Charles Coulson. Slater argued for quantum‐mechanical rigor, and the primacy of fundamental principles in models of chemical bonding. Coulson emphasized systematic explanatory power within chemistry, and continuity with existing chemical explanations. I relate these views to the epistemic contexts of their disciplines.

Mereology is the logic of part—whole concepts as they are used in many different contexts. The old chemical metaphysics of atoms and molecules seems to fit classical mereology very well. However, when functional attributes are added to part specifications and quantum mechanical considerations are also added, the rules of classical mereology are breached in chemical discourses. A set theoretical alternative mereology is also found wanting. Molecular orbital theory requires a metaphysics of affordances that also stands outside classical mereology.

This paper evaluates a general argument for the conclusion that visual representations in science must play the role of truth bearers if they are to figure as legitimate contributors to scientific arguments and explanations. The argument is found to be unsound. An alternative approach to assessing the role of visual representations in science is exemplified by an examination of the role of structural formulas in organic chemistry. Structural formulas are found not to play the role of truth bearers; nonetheless, they (...) contribute to the arguments and explanations of organic chemistry. An early success of conformational analysis is presented in order to illustrate the role of structural formulas in the discourse of organic chemistry. *Received January 2007; revised July 2009. †To contact the author, please write to: Department of Philosophy and Religious Studies, Rowan University, 201 Mullica Hill Road, Glassboro, NJ 08028; e‐mail: [email protected]. (shrink)

Next SectionOne of the indisputable signs of the progress made in organic chemistry over the last two hundred years is the increased ability of chemists to manipulate, control, and design chemical reactions. The technological expertise manifest in contemporary synthetic organic chemistry is, at least in part, due to developments in the theory of organic chemistry. By appealing to a notable chemist's attempts to articulate and codify the heuristics of synthetic design, this paper investigates how understanding theoretical organic chemistry facilitates progress (...) in synthetic organic chemistry. The picture that emerges of how the applications of organic chemistry are grounded in its theory is contrasted with both standard and some more contemporary philosophical accounts of the applications of science. IntroductionTotal Synthesis as Applied ScienceUnderstanding Organic ChemistryThe Heuristics of Synthetic DesignAn Example: LongifoleneConclusion. (shrink)

This article investigates how understanding the theory of organic chemistry facilitates the total synthesis of organic compounds. After locating the philosophical significance of this question within the methodology or epistemology of applied science, I summarize the results of previous work on this issue—roughly that theoretical organic chemistry underwrites a sequence of heuristic policies that help to isolate plausible synthetic routes from the array of possibilities provided by structural or descriptive organic chemistry. While this prior account makes a solid start, it (...) does not capture all of the ways that the theory of organic chemistry contributes to total synthesis. This article aspires to enrich this account by exploring some additional ways that theory contributes. More specifically, I investigate how understanding the theory of organic chemistry can facilitate both the development of novel synthetic reactions and the implementation of a synthetic plan. The role of theory in these aspects of total synthesis will be explored by considering a particular, novel synthesis of longifolene. (shrink)

Organic chemistry provides fertile ground for scholars interested in understanding the role of non-linguistic representations in scientific thinking. In this discipline, it is not plausible to regard diagrams as simply heuristic aids for expressing or applying what is essentially a linguistic theory. Instead, it is more plausible to think of linguistic representation as supplementing theories whose principal expression is diagrammatic. Among the many sorts of diagrams employed by organic chemists, structural formulas are the most important. In this paper, by examining (...) two central episodes in the development of structural formulas—Kekulé’s proposal of a structure for benzene and Ingold’s explanation of dipole moments in terms of ‘mesomerism’—I investigate how the norms for the production and interpretation of structural formulas evolve in response to experimental results and theoretical developments. I conclude that one principal way in which structural formulas embody the theory of organic chemistry is through these evolving norms. (shrink)

What, precisely, is `salt'? It is a certainwhite, solid, crystalline, material, alsocalled sodium chloride. Does any of that solidwhite stuff exist in the sea? – Clearly not.One can make salt from sea water easily enough,but that fact does not establish thatsalt, as such, is present in brine. (Paper andink can be made into a novel – but no novelactually exists in a stack of blank paper witha vial of ink close by.) When salt dissolves inwater, what is present is no (...) longer `salt' butrather a collection of hydrated sodium cationsand chloride anions, neither of which isprecisely salt, nor is the collection. Theaqueous material in brine is also significantlydifferent from pure water. Salt may beconsidered to be present in seawater, but onlyin a more or less vague `potential' way.Actually, there is no salt in the sea. In bothancient and modern treatments of otherimportant chemical concepts, including thenotions of `element', related complication,especially polysemy (terms with multiplemeanings), also occurs.In a recent paper, Paul Needham discussed the(predicable) properties of chemical substances,phases, and solutions. He provided a valuablecharacterization of cases in which severalquantities occupy the same space. He alsoconcluded that solution properties are not`intensive', because solvent and solute do nothave parts in common. He tacitly assumed thatingredients are not altered by their inclusionin a solution. This may be the case in somespecial cases (deutero-benzene dissolved inbenzene, say) but is not true in general – andcertainly does not apply to the case of brine,which Needham used as an example – since theions that exist in the solution, and also theaqueous material there, are quite differentfrom the pure ingredients used in making thesolution. An adequate theory of wholes andparts (mereology) must take into account thatwhen individuals enter combinations ofinteresting sorts they no longer are the verysame individuals that existed prior to thecomposition. It appears that no such formaltheory now actually exists. (shrink)

Chomsky proposes a reformulation of the theory of transformational generative grammar that takes recent developments in the descriptive analysis of particular ...

: H-J Rheinberger's book Toward a History of Epistemic Things contains a sophisticated account of scientific reference and scientific method worked out in conjunction with a case study of the laboratory synthesis of proteins. This paper offers a detailed critical analysis of Rheinberger's position from the standpoint of the sociology of scientific knowledge. The central thesis is that Rheinberger's account of reference, whether deliberately or unwittingly, assimilates discourse about the natural world to discourse about the social world. The result is (...) an inadequate account of scientific terms, which does not do justice to the independent character of the objects of scientific knowledge. A further feature of Rheinberger's approach is a commitment to an extreme form of methodological pluralism. This is challenged in the paper on the basis of a sociological reading of Carnap's famous identification of a "continuum of inductive methods.". (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 paper contains the analysis of nine interviews with UK scientists on the topic of scientific models. Scientific models are an important, very controversially discussed topic in philosophy of science. A reasonable expectation is that philosophical conceptions of models ought to be in agreement with scientific practice. Questioning practicing scientists on their use of and views on models provides material against which philosophical positions can be measured.

Taking the view that understanding the meaning behind the complex formulas of science is more important than ever, this work attempts to explain the systems view of the world as the paradigm of the latest scientific developments.

This essay explores the connection between representation and explanation in the sciences. I suggest that scientific representation schemes be viewed as pragmatic tools for acquiring the sort of articulated awareness that is the hallmark of nontrivial knowledge. Crystal field theory in chemistry illustrates this perspective. Certain representations achieve the status of being paradigmatically explanatory, thereby shaping models of intelligibility. In turn, these explanatory preferences serve largely to define and differentiate disciplinary communities by implicitly endorsing particular epistemic aims and values. In (...) this way, the pragmatic nature of explanatory discourse effectively grants its intellectual utility. (shrink)

In this paper I demonstrate that, contrary to the standard interpretations, William Whewell's view of scientific method is neither that of the hypothetico-deductivist nor that of the retroductivist. Rather, he offers a unique inductive methodology, which he calls "discoverers' induction." After explicating this methodology, I show that Kepler's discovery of his first law of planetary motion conforms to it, as Whewell claims it does. In explaining Whewell's famous phrase about "happy guesses" in science, I suggest that Whewell intended a distinction (...) between "inductions," which can be empirically verified, and "mere hypotheses"--or guesses--which cannot. Finally, I argue that Whewell's discoverers' induction is a view worthy of our attention today, because it avoids a number of problems faced by prominent alternative methodologies. (shrink)

Chemical structures are among the trademarks of our profession, as surely chemical as flasks, beakers and distillation columns. When someone sees one of us busily scribbling formulas or structures, he or she has no trouble identifying a chemist. Yet these familiar objects, which accompany our work from start to end, from the initial doodlings (Fig. I) to the final polished artwork in a publication (Fig. II), are deceptively simple. They raise interesting and difficult questions about representation. It is the intent (...) of this article to reflect upon molecular graphics. (shrink)

"The first two lectures place the alternative I defend -- a kind of pragmatic realism -- in a historical and metaphysical context. Part of that context is provided by Husserl's remark that the history of modern philosophy begins with Galileo -- that is, modern philosophy has been hypnotized by the idea that scientific facts are all the facts there are. Another part is provided by the analysis of a very simple example of what I call 'contextual relativity'. The position I (...) defend holds that truth depends on conceptual scheme and it is nonetheless 'real truth'. "In my third lecture I turn to the Kantian antecedents of this view, explaining what I think should be retained of the Kantian idea of autonomy as the central theme of morality, and extracting from Kant's work a 'moral image of the world' that connects the ideals of equality and intellectual liberty. In this lecture I defend the idea that moral images are an indispensible part of our moral and cultural heritage. "In the final lecture I defend the idea of moral objectivity. I compare our epistemological positions in ethics, history, analysis of human character, and science, and I argue that in no area can we hope for a 'foundation' which is more ultimate than the beliefs that actually, at a given time, function as foundational in the area, the beliefs concerning which one has to say 'this is where my spade is turned'. In ethics such beliefs are represented in moral images of the world.". (shrink)

This paper surveys some ways in which the chemical realm can be described and outlined in terms of the concept of supervenience. The particular contours of general chemical theory provide a ready basis for interpretation of determination, covariance, and nonreduction—the characteristic metaphysical facets of the supervenience relation—in mutual terms. Building on this, the extent to which chemically characterized properties and entities can be described in terms of a supervenience-scaffolded structure represents a particularly vivid application that philosophers in general interested in (...) supervenience would do well to attend to. In addition, the model of chemical supervenience given here can be used as a rubric on which to decide on issues already raised by philosophers of chemistry. (shrink)

: In this paper I argue that belief in the greater confirmatory value of prediction over accommodation can best be understood as a function of the practice rather than the logic of science. Attempts to account for this asymmetry within the logic of science have revealed no non-arbitrary way to address the problem of underdetermination as it applies to prediction and thus have failed to account for the preference for prediction over accommodation on logical grounds. Instead, I propose a model (...) that not only justifies and explains this preference, but allows for a richer taxonomy of the types of evidential confirmation that are employed in scientific reasoning. (shrink)