David Bourget (Western Ontario)
David Chalmers (ANU, NYU)
Rafael De Clercq
Ezio Di Nucci
Jonathan Jenkins Ichikawa
Jack Alan Reynolds
Learn more about PhilPapers
Foundations of Chemistry 2 (3):221-236 (2000)
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
|Keywords||Philosophy Chemistry/Food Science, general Physical Chemistry Philosophy of Science History|
|Categories||categorize this paper)|
Setup an account with your affiliations in order to access resources via your University's proxy server
Configure custom proxy (use this if your affiliation does not provide a proxy)
|Through your library|
References found in this work BETA
No references found.
Citations of this work BETA
No citations found.
Similar books and articles
Paweł Zeidler & Danuta Sobczyńska (1995). The Idea of Realism in the New Experimentalism and the Problem of the Existence of Theoretical Entities in Chemistry. Foundations of Science 1 (4):517-535.
Markus Reiher (2003). A Systems Theory for Chemistry. Foundations of Chemistry 5 (1):23-41.
Rein Vihalemm (2005). Chemistry and a Theoretical Model of Science: On the Occasion of a Recent Debate with the Christies. [REVIEW] Foundations of Chemistry 7 (2):171-182.
Joachim Schummer (1998). The Chemical Core of Chemistry I: A Conceptual Approach. Hyle 4 (2):129 - 162.
M. Kidwai & R. Mohan (2005). Green Chemistry: An Innovative Technology. [REVIEW] Foundations of Chemistry 7 (3):269-287.
Jeffrey Kovac (2002). Theoretical and Practical Reasoning in Chemistry. Foundations of Chemistry 4 (2):163-171.
Rein Vihalemm (2007). Philosophy of Chemistry and the Image of Science. Foundations of Science 12 (3):223-234.
W. M. Goodwin (2008). Structural Formulas and Explanation in Organic Chemistry. Foundations of Chemistry 10 (2):117-127.
A. T. Balaban (2005). Reflections About Mathematical Chemistry. Foundations of Chemistry 7 (3):289-306.
Added to index2009-01-28
Total downloads18 ( #255,374 of 1,940,948 )
Recent downloads (6 months)2 ( #333,818 of 1,940,948 )
How can I increase my downloads?