This category needs an editor. We encourage you to help if you are qualified.
Volunteer, or read more about what this involves.
Related categories

65 found
Order:
1 — 50 / 65
  1. added 2018-05-30
    The Inapplicability of Husserlian Mereology for the Regional Ontology of Quantum Chemical Wholes.Marina P. Banchetti - forthcoming - In Essays in Honor of Thomas Seebohm. Dordrecht, Netherlands:
  2. added 2018-05-12
    The Union of Chemistry and Physics.Hinne Hettema - 2017 - New York: Springer.
    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 (...)
    Remove from this list   Direct download  
     
    Export citation  
     
    Bookmark  
  3. added 2017-04-11
    About the Independence of Models with Respect to Theories: A Case Study of Quantum Chemistry.Hernán Lucas Accorinti & Juan Camilo Martínez - unknown
    Thesemanticviewofscientifictheoriesassumesthedependenceofmodelsontheories.Someauthorschal- lenge that assumption by means of the study of certain models conceived as phenomenological. On the basis of the analysis of atomic and molecular models in quantum chemistry, in this article we will argue for an independence of models from theories, which cannot be interpreted as merely historical and context relative. Those models shows a conceptual independence that is constitutive of the modeling process; such independence cannot be conceived as a result of a contingent deficiency of the theory used, (...)
    Remove from this list   Direct download (3 more)  
     
    Export citation  
     
    Bookmark  
  4. added 2017-02-15
    Kostas Gavroglu and Ana Simões: Neither Physics nor Chemistry. A History of Quantum Chemistry.Jean-Pierre Llored - 2016 - Foundations of Chemistry 18 (1):81-84.
    In line with their previous studies dedicated to quantum chemistry (Gavroglu and Simões 1994, 2000; Simões and Gavroglu 1997, 2001), the last joint publication by Kostas Gavroglu and Ana Simões provides the readers not only with a fine-grained, rigorous, and highly valuable book on the history of science but also with stimulating epistemological insights about the way ‘in-between’ disciplines, to use the authors’ turn of phrase, emerge from the convergence of diverging ‘styles’ of research and heterogeneous practices. To make their (...)
    Remove from this list   Direct download (2 more)  
     
    Export citation  
     
    Bookmark  
  5. added 2017-02-10
    Using Logic to Define the Aufbau–Hund–Pauli Relation: A Guide to Teaching Orbitals as a Single, Natural, Unfragmented Rule-Set. [REVIEW]Conal Boyce - 2014 - Foundations of Chemistry 16 (2):93-106.
    The general chemistry curriculum includes a prelude that consumes nearly all of the first semester and occupies the first third of the typical textbook. This necessary prelude to the main event is comparable in scope to precalculus though not broken out as a formal ‘prechemistry’ course. Atomic orbitals account for much of this prelude-to-chemistry. By tradition, orbital theory is conveyed to the student in three disjunct pieces, presented in the following illogical order: the Pauli principle, the Aufbau principle, and Hund’s (...)
    Remove from this list   Direct download (7 more)  
     
    Export citation  
     
    Bookmark  
  6. added 2017-02-10
    Molecules and Mereology.Rom Harré & Jean-Pierre Llored - 2013 - Foundations of Chemistry 15 (2):127-144.
    This paper widens the scope of our previous paper (Harré and Llored in Found Chem 13:63–76, 2011) by scrutinizing how whole/parts relations are involved in the study of molecules. In doing so, we point out two mereological fallacies which endanger both philosophical and chemical inferences. We also further explore how the concept of affordance is related to our mereological investigation. We then refer to quantum chemistry in order to pave the way for a new mereological approach for chemistry.
    Remove from this list   Direct download (5 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  7. added 2017-02-10
    Book Review: Kostas Gavroglu and Ana Simões: "Neither Physics nor Chemistry: A History of Quantum Chemistry". [REVIEW]Brian T. Sutcliffe - 2012 - Hyle 18 (1):91 - 94.
  8. added 2017-02-09
    The Emancipation of Chemistry.Gerald F. Thomas - 2012 - Foundations of Chemistry 14 (2):109-155.
    In his classic work The Mind and its Place in Nature published in 1925 at the height of the development of quantum mechanics but several years after the chemists Lewis and Langmuir had already laid the foundations of the modern theory of valence with the introduction of the covalent bond, the analytic philosopher C. D. Broad argued for the emancipation of chemistry from the crass physicalism that led physicists then and later—with support from a rabblement of philosophers who knew as (...)
    Remove from this list   Direct download (6 more)  
     
    Export citation  
     
    Bookmark  
  9. added 2017-01-29
    Ontological Status of Molecular Structure.Guiseppe Del Re - 1998 - Hyle 4:81-103.
    Molecular structure has been treated as a convention or an epiphenomenon by physicists and quantum chemists interpreting the mathematical formalism of quantum mechanics as the essential reality criterion in the submicroscopic world . This paper argues that, even in the R2 world there is a class of entities which are real per se, even though they cannot be separated from their material support, and MS may belong to that class; MS actualizes a particular molecule from the many potentialities of a (...)
    Remove from this list  
     
    Export citation  
     
    Bookmark   1 citation  
  10. added 2017-01-27
    Disciplines, Models, and Computers: The Path to Computational Quantum Chemistry.Johannes Lenhard - 2014 - Studies in History and Philosophy of Science Part A 48:89-96.
  11. added 2017-01-27
    Models and Approximations in Quantum Chemistry.Robin Findlay Hendry - 1998 - Poznan Studies in the Philosophy of the Sciences and the Humanities 63:123-142.
    Remove from this list   Direct download  
     
    Export citation  
     
    Bookmark   5 citations  
  12. added 2017-01-26
    Neither Physics nor Chemistry: A History of Quantum Chemistry.Kostas Gavroglu & Ana Simões - 2011 - MIT Press.
    In Neither Physics Nor Chemistry, Kostas Gavroglu and Ana Simoes examine the evolution of quantum chemistry into an autonomous discipline, tracing its development from the publication of early papers in the 1920s to the dramatic changes ...
    Remove from this list   Direct download  
     
    Export citation  
     
    Bookmark   1 citation  
  13. added 2017-01-23
    The Ambiguity of Reduction.Eric R. Scerri - 2007 - Hyle 13 (2):67 - 81.
    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 (...)
    Remove from this list   Direct download  
     
    Export citation  
     
    Bookmark   4 citations  
  14. added 2017-01-16
    E. Thomas Strom & Angela K. Wilson : "Pioneers of Quantum Chemistry". [REVIEW]Kostas Gavroglu - 2015 - Hyle: International Journal for Philosophy of Chemistry 21 (1):61-63.
    Book Review of E. Thomas Strom & Angela K. Wilson : Pioneers of Quantum Chemistry, Washington/DC 2013.
    Remove from this list   Direct download  
     
    Export citation  
     
    Bookmark  
  15. added 2017-01-16
    Whole-Parts Strategies in Quantum Chemistry: Some Philosophical and Mereological Lessons.Jean-Pierre Llored - 2014 - Hyle: International Journal for Philosophy of Chemistry 20 (1):141-163.
    Philosophers mainly refer to quantum chemistry in order to address questions about the reducibility or autonomy of chemistry relative to quantum physics, and to argue for or against ontological emergence. To make their point, they scrutinize quantum approximations and formalisms as if they were independent of the questions at stake. This paper proposes a return to history and to the laboratory so as to emphasize how quantum chemists never cease to negotiate the relationships between a molecule, its parts, and its (...)
    Remove from this list   Direct download  
     
    Export citation  
     
    Bookmark   1 citation  
  16. added 2017-01-15
    Quantum Chemistry in Great Britain: Developing a Mathematical Framework for Quantum Chemistry.Ana Simões & Kostas Gavroglu - 2000 - Studies in History and Philosophy of Science Part B: Studies in History and Philosophy of Modern Physics 31 (4):511-548.
    Remove from this list   Direct download (2 more)  
     
    Export citation  
     
    Bookmark   2 citations  
  17. added 2017-01-15
    On the Making of Quantum Chemistry in Germany.Andreas Karachalios - 2000 - Studies in History and Philosophy of Science Part B: Studies in History and Philosophy of Modern Physics 31 (4):493-510.
    Remove from this list   Direct download (2 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  18. added 2017-01-14
    Autonomy and Automation: Computational Modeling, Reduction, and Explanation in Quantum Chemistry.Johannes Lenhard - 2014 - The Monist 97 (3):339-358.
    This paper discusses how computational modeling combines the autonomy of models with the automation of computational procedures. In particular, the case of ab-initio methods in quantum chemistry will be investigated to draw two lessons from the analysis of computational modeling. The first belongs to general philosophy of science: Computational modeling faces a trade-off and enlarges predictive force at the cost of explanatory force. The other lesson is about the philosophy of chemistry: The methodology of computational modeling puts into doubt claims (...)
    Remove from this list   Direct download (3 more)  
     
    Export citation  
     
    Bookmark  
  19. added 2016-11-27
    When Can a Computer Simulation Act as Substitute for an Experiment? A Case-Study From Chemisty.Johannes Kästner & Eckhart Arnold - manuscript
    In this paper we investigate with a case study from chemistry under what conditions a simulation can serve as a surrogate for an experiment. The case-study concerns a simulation of H2-formation in outer space. We find that in this case the simulation can act as a surrogate for an experiment, because there exists comprehensive theoretical background knowledge in form of quantum mechanics about the range of phenomena to which the investigated process belongs and because any particular modelling assumptions as can (...)
    Remove from this list   Direct download (4 more)  
     
    Export citation  
     
    Bookmark  
  20. added 2015-03-26
    Preparing the Ground for Quantum Chemistry in Great Britain: The Work of the Physicist R. H. Fowler and the Chemist N. V. Sidgwick. [REVIEW]Kostas Gavroglu & Ana SimÕes - 2002 - British Journal for the History of Science 35 (2):187-212.
    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 (...)
    Remove from this list   Direct download (2 more)  
     
    Export citation  
     
    Bookmark   5 citations  
  21. added 2015-03-24
    Extending Kitcher's Account of Reduction to Other Special Sciences: A Consideration of Organic Chemistry and Quantum Mechanics.Maria Zawadowicz - unknown
    Remove from this list   Direct download (2 more)  
     
    Export citation  
     
    Bookmark  
  22. added 2015-03-24
    Philosophy of Biology, Psychology, and Neuroscience-Philosophy of Chemistry-Putting Quantum Mechanics to Work in Chemistry: The Power of Diagrammatic Representation.Eric Scerri & Andrea I. Woody - 2000 - Philosophy of Science 67 (3).
    Remove from this list  
     
    Export citation  
     
    Bookmark  
  23. added 2015-03-23
    The Hyperbola of Quantum Chemistry: The Changing Practice and Identity of a Scientific Discipline in the Early Years of Electronic Digital Computers, 1945-65.Buhm Soon B. S. Park - 2003 - Annals of Science 60 (3):219-247.
    In 1965, John A. Pope presented a paper entitled 'Two-Dimensional Chart of Quantum Chemistry' to illustrate the inverse relationship between the sophistication of computational methods and the size of molecules under study. This chart, later called the 'hyperbola of quantum chemistry', succinctly summarized the growing tension between the proponents of two different approaches to computation–the ab initio method and semiempirical method–in the early years of electronic digital computers. Examining the development of quantum chemistry after World War II, I focus on (...)
    Remove from this list   Direct download (3 more)  
     
    Export citation  
     
    Bookmark   3 citations  
  24. added 2015-03-20
    Linking Chemistry with Physics: Arguments and Counterarguments. [REVIEW]Olimpia Lombardi - 2014 - Foundations of Chemistry 16 (3):181-192.
    The many-faced relationship between chemistry and physics is one of the most discussed topics in the philosophy of chemistry. In his recent book Reducing Chemistry to Physics. Limits, Models, Consequences, Hinne Hettema conceives this relationship as a reduction link, and devotes his work to defend this position on the basis of a “naturalized” concept of reduction. In the present paper I critically review three kinds of issues stemming from Hettema’s argumentation: philosophical, scientific and methodological.
    Remove from this list   Direct download (3 more)  
     
    Export citation  
     
    Bookmark   2 citations  
  25. added 2015-03-20
    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.
    Remove from this list   Direct download (4 more)  
     
    Export citation  
     
    Bookmark  
  26. added 2015-03-20
    Ontological Status of Molecular Structure.Giuseppe Del Re - 1998 - Hyle 4 (2):81 - 103.
    Molecular structure (MS) has been treated as a convention or an epiphenomenon by physicists and quantum chemists interpreting the mathematical formalism of quantum mechanics as the essential reality criterion in the submicroscopic world (R2 world). This paper argues that, (a) even in the R2 world there is a class of entities which are real per se, even though they cannot be separated from their material support, and MS may belong to that class; (b) MS actualizes a particular molecule from the (...)
    Remove from this list   Direct download  
     
    Export citation  
     
    Bookmark   1 citation  
  27. added 2015-03-18
    Has Chemistry Been at Least Approximately Reduced to Quantum Mechanics?Eric R. Scerri - 1994 - PSA: Proceedings of the Biennial Meeting of the Philosophy of Science Association 1994:160 - 170.
    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.
    Remove from this list   Direct download  
     
    Export citation  
     
    Bookmark   7 citations  
  28. added 2015-03-17
    Patching Physics and Chemistry Together.Robert Bishop - 2004 - Philosophy of Science 72 (5):710-722.
    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 (...)
    Remove from this list   Direct download (10 more)  
     
    Export citation  
     
    Bookmark   10 citations  
  29. added 2015-02-22
    Information Theory and the Problem of Molecular Structure.John F. Cyranski - 1985 - Foundations of Physics 15 (8):833-849.
    Recently it has been shown that the classical “stick and ball” viewpoint of molecules is inconsistent with quantum theory (QT). We suggest an unusual reconciliation: The QT state is not a physical property, but instead reflects our state of knowledge about observable aspects of “reality.” We show how this perspective is nevertheless objective. Applied to molecules, the view permits “structure” to exist only when observable evidence is compatible with this feature. Typically one must replace the a priori model (in particular, (...)
    Remove from this list   Direct download (3 more)  
     
    Export citation  
     
    Bookmark  
  30. added 2014-10-28
    Recommended Questions on the Road Towards a Scientific Explanation of the Periodic System of Chemical Elements with the Help of the Concepts of Quantum Physics.W. H. Eugen Schwarz - 2007 - Foundations of Chemistry 9 (2):139-188.
    Periodic tables (PTs) are the ‘ultimate paper tools’ of general and inorganic chemistry. There are three fields of open questions concerning the relation between PTs and physics: (i) the relation between the chemical facts and the concept of a periodic system (PS) of chemical elements (CEs) as represented by PTs; (ii) the internal structure of the PS; (iii)␣The relation between the PS and atomistic quantum chemistry. The main open questions refer to (i). The fuzziness of the concepts of chemical properties (...)
    Remove from this list   Direct download (4 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  31. added 2014-10-22
    The Electronic Configuration Model, Quantum Mechanics and Reduction.Eric R. Scerri - 1991 - British Journal for the Philosophy of Science 42 (3):309-325.
    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.
    Remove from this list   Direct download (10 more)  
     
    Export citation  
     
    Bookmark   9 citations  
  32. added 2014-10-11
    The Use of One-Electron Quantum Numbers to Describe Polyelectronic Systems.Robert M. Richman - 1999 - Foundations of Chemistry 1 (2):173-181.
    Atomic states are rigorously characterized by the total orbital angular momentum and the total spin angular momentum, but chemists persist in the use of electron configurations based on one-electron quantum numbers and simplified rules for predicting ground state configurations. This practice is defended against two lines of criticism, and its use in teaching chemistry is encouraged with the claim that the inductive approach of Mendeleev and the deductive approach initiated by Schrödinger compose the consummate example of that interaction of empirical (...)
    Remove from this list   Direct download (7 more)  
     
    Export citation  
     
    Bookmark  
  33. added 2014-09-09
    The Value of Rough Quantum Mechanical Calculations.Linus Pauling - 1992 - Foundations of Physics 22 (6):829-838.
    During a few years beginning in 1927 rough quantum mechanical calculations of the energy of the ground states with simple wave functions based upon certain models were made for H 2 + , H2, and He 2 + . These calculations provided much insight into the nature of the chemical bond, a concept formulated empirically in the 19th century, and of the chemists' classical valence-bond theory, also formulated in the 19th century. Moreover, ideas suggested by the rough calculations permitted the (...)
    Remove from this list   Direct download (3 more)  
     
    Export citation  
     
    Bookmark  
  34. added 2014-09-02
    On Recent Discussion Concerning Quantum Justification of the Periodic Table of the Elements.V. N. Ostrovsky - 2005 - Foundations of Chemistry 7 (3):235-239.
    The recent exchange on the quantum justification of the Periodic System of the Elements in this Journal between Scerri [Foundations of Chemistry 6: 93–116, 2004] and Friedrich [Foundations of Chemistry 6: 117–132, 2004] is supplemented by some methodological comments.
    Remove from this list   Direct download (4 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  35. added 2014-07-23
    Field Equations, Quantum Mechanics and Geotropism.Han J. F. Geurdes - manuscript
    The biochemistry of geotropism in plants and gravisensing in e.g. cyanobacteria or paramacia is still not well understood today [1]. Perhaps there are more ways than one for organisms to sense gravity. The two best known relatively old explanations for gravity sensing are sensing through the redistribution of cellular starch statoliths and sensing through redistribution of auxin. The starch containing statoliths in a gravity field produce pressure on the endoplasmic reticulum of the cell. This enables the cell to sense direction. (...)
    Remove from this list   Direct download  
    Translate
     
     
    Export citation  
     
    Bookmark  
  36. added 2014-04-17
    The Peculiar Notion of Exchange Forces--I: Origins in Quantum Mechanics, 1926-1928.C. Carson - 1996 - Studies in History and Philosophy of Science Part B: Studies in History and Philosophy of Modern Physics 27 (1):23-45.
  37. added 2014-04-15
    ... Hasn't It? A Commentary on Eric Scerri's Paper ``has Quantum Mechanics Explained the Periodic Table?''.Bretislav Friedrich - 2004 - Foundations of Chemistry 6 (1):117-132.
  38. added 2014-04-02
    Austere Quantum Mechanics as a Reductive Basis for Chemistry.Hinne Hettema - 2013 - Foundations of Chemistry 15 (3):311-326.
    This paper analyses Richard Bader’s ‘operational’ view of quantum mechanics and the role it plays in the the explanation of chemistry. I argue that QTAIM can partially be reconstructed as an ‘austere’ form of quantum mechanics, which is in turn committed to an eliminative concept of reduction that stems from Kemeny and Oppenheim. As a reductive theory in this sense, the theory fails. I conclude that QTAIM has both a regulatory and constructive function in the theories of chemistry.
    Remove from this list   Direct download (6 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  39. added 2014-04-02
    Comment on “Austere Quantum Mechanics as a Reductive Basis for Chemistry”.Shant Shahbazian - 2013 - Foundations of Chemistry 15 (3):327-334.
  40. added 2014-04-02
    Beyond the Orthodox QTAIM: Motivations, Current Status, Prospects and Challenges. [REVIEW]Shant Shahbazian - 2013 - Foundations of Chemistry 15 (3):287-302.
    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 called the two-component QTAIM (TC-QTAIM). This extended framework enables one to incorporate nuclear dynamics into the AIM analysis as well as performing AIM analysis of the exotic species; positronic and muonic species are a few examples. In present paper, this framework has been reviewed, providing some computational examples with particular emphasis on origins and applications, in (...)
    Remove from this list   Direct download (6 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  41. added 2014-03-30
    The Exclusion Principle, Chemistry and Hidden Variables.Eric R. Scerri - 1995 - Synthese 102 (1):165 - 169.
    The Pauli Exclusion Principle and the reduction of chemistry have been the subject of considerable philosophical debate, The present article considers the view that the lack of derivability of the Exclusion Principle represents a problem for physics and denies the reduction of chemistry to quantum mechanics. The possible connections between the Exclusion Principle and the hidden variable debate are also briefly criticised.
    Remove from this list   Direct download (5 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  42. added 2014-03-28
    A Critique of Atkins' Periodic Kindom and Some Writings on Electronic Structure.Eric R. Scerri - 1999 - Foundations of Chemistry 1 (3):295-303.
    This article consists of a critique of the writings of Peter Atkins. The topics discussed include the quantum mechanical explanation of the periodic system, the aufbau principle and the order of occupation of orbitals by electrons. It is also argued that Atkins fails to appreciate the philosophical significance of the more general version of the Pauli Exclusion Principle and that this omission has ramifications in the popular presentation of chemistry as well as chemical education and philosophy of chemistry in general.
    Remove from this list   Direct download (7 more)  
     
    Export citation  
     
    Bookmark  
  43. added 2014-03-27
    The Role of Mathematics in the Experimental/Theoretical/Computational Trichotomy of Chemistry.R. Bruce King - 2000 - Foundations of Chemistry 2 (3):221-236.
    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 (...)
    Remove from this list   Direct download (6 more)  
     
    Export citation  
     
    Bookmark  
  44. added 2014-03-25
    Quantum Chemistry in Great Britain: Developing a Mathematical Framework for Quantum Chemistry.Ana Simões & Kostas Gavroglu - 2000 - Studies in History and Philosophy of Science Part B: Studies in History and Philosophy of Modern Physics 31 (4):511-548.
    Remove from this list   Direct download (2 more)  
     
    Export citation  
     
    Bookmark   4 citations  
  45. added 2014-03-25
    On the Making of Quantum Chemistry in Germany.A. Karachalios - 2000 - Studies in History and Philosophy of Science Part B: Studies in History and Philosophy of Modern Physics 31 (4):493-510.
    Remove from this list   Direct download (2 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  46. added 2014-03-24
    Quantum Mechanics and Molecular Design in the Twenty First Century.Mark Eberhart - 2002 - Foundations of Chemistry 4 (3):201-211.
    It is argued that the conventional descriptions of chemical bonds as covalent, ionic, metallic, and Van der Waals are compromising the usefulness of quantum mechanics in the synthesis and design of new molecules and materials. Parallels are drawn between the state of chemistry now and when the idea that phlogiston was an element impeded the development of chemistry. Overcoming the current obstacles will require new methods to describe molecular structure and bonding, just as new concepts were needed before the phlogiston (...)
    Remove from this list   Direct download (6 more)  
     
    Export citation  
     
    Bookmark   1 citation  
  47. added 2014-03-21
    Theoretical Chemistry.Roald Hoffmann - 2004 - Foundations of Chemistry 6 (1):11-.
  48. added 2014-03-21
    Just How Ab Initio is Ab Initio Quantum Chemistry?Eric R. Scerri - 2004 - Foundations of Chemistry 6 (1):93-116.
  49. added 2014-03-21
    Putting Quantum Mechanics to Work in Chemistry: The Power of Diagrammatic Representation.Andrea I. Woody - 2000 - Philosophy of Science 67 (3):627.
    Most contemporary chemists consider quantum mechanics to be the foundational theory of their discipline, although few of the calculations that a strict reduction would seem to require have ever been produced. In this essay I discuss contemporary algebraic and diagrammatic representations of molecular systems derived from quantum mechanical models, specifically configuration interaction wavefunctions for ab initio calculations and molecular orbital energy diagrams. My aim is to suggest that recent dissatisfaction with reductive accounts of chemical theory may stem from both the (...)
    Remove from this list   Direct download (8 more)  
     
    Export citation  
     
    Bookmark   7 citations  
  50. added 2014-03-19
    Commentary on Allen & Kinght's Response to the Löwdin chAllenge.Eric R. Scerri - 2006 - Foundations of Chemistry 8 (3):285-292.
    This commentary provides a critical examination of a recent article by Allen and Knight in which the authors claim to provide the long-sought explanation for the Madelung, or n + ℓ, n rule for the order of orbital filling in many-electron atoms. It is concluded that the explanation is inadequate for several reasons.
    Remove from this list   Direct download (4 more)  
     
    Export citation  
     
    Bookmark  
1 — 50 / 65