Robert G. Parr and Yang Weitao
- Published in print:
- 1995
- Published Online:
- November 2020
- ISBN:
- 9780195092769
- eISBN:
- 9780197560709
- Item type:
- book
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780195092769.001.0001
- Subject:
- Chemistry, Theoretical Chemistry
This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and ...
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This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.
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This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.
Eric Scerri and Grant Fisher (eds)
- Published in print:
- 2016
- Published Online:
- November 2020
- ISBN:
- 9780190494599
- eISBN:
- 9780197559666
- Item type:
- book
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780190494599.001.0001
- Subject:
- Chemistry, Theoretical Chemistry
The philosophy of chemistry has emerged in recent years as a new and autonomous field within the Anglo-American philosophical tradition. With the development of this new ...
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The philosophy of chemistry has emerged in recent years as a new and autonomous field within the Anglo-American philosophical tradition. With the development of this new discipline, Eric Scerri and Grant Fisher's "Essays in the Philosophy of Chemistry" is a timely and definitive guide to all current thought in this field. This edited volume will serve to map out the distinctive features of the field and its connections to the philosophies of the natural sciences and general philosophy of science more broadly. It will be a reference for students and professional alike. Both the philosophy of chemistry and philosophies of scientific practice alike reflect the splitting of analytical and continental scholastic traditions, and some philosophers are turning for inspiration from the familiar resources of analytical philosophy to influences from the continental tradition and pragmatism. While philosophy of chemistry is practiced very much within the familiar analytical tradition, it is also capable of trail-blazing new philosophical approaches. In such a way, the seemingly disparate disciplines such as the "hard sciences" and philosophy become much more linked.
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The philosophy of chemistry has emerged in recent years as a new and autonomous field within the Anglo-American philosophical tradition. With the development of this new discipline, Eric Scerri and Grant Fisher's "Essays in the Philosophy of Chemistry" is a timely and definitive guide to all current thought in this field. This edited volume will serve to map out the distinctive features of the field and its connections to the philosophies of the natural sciences and general philosophy of science more broadly. It will be a reference for students and professional alike. Both the philosophy of chemistry and philosophies of scientific practice alike reflect the splitting of analytical and continental scholastic traditions, and some philosophers are turning for inspiration from the familiar resources of analytical philosophy to influences from the continental tradition and pragmatism. While philosophy of chemistry is practiced very much within the familiar analytical tradition, it is also capable of trail-blazing new philosophical approaches. In such a way, the seemingly disparate disciplines such as the "hard sciences" and philosophy become much more linked.
Jeffrey Kovac
- Published in print:
- 2018
- Published Online:
- November 2020
- ISBN:
- 9780190668648
- eISBN:
- 9780197559772
- Item type:
- book
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780190668648.001.0001
- Subject:
- Chemistry, Theoretical Chemistry
This book is an introduction to professional ethics in chemistry. After a brief overview of ethical theory, it provides a detailed discussion of professional ethic for chemists ...
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This book is an introduction to professional ethics in chemistry. After a brief overview of ethical theory, it provides a detailed discussion of professional ethic for chemists based on the view that the specific codes of conduct derive from a moral ideal. The moral ideal presented here has three parts. The first refers to the practice of science, the second to relationships within the scientific community and the third to the relationship between science and society, particularly the uses of science. The question of why a scientist should obey the professional code is discussed in terms of the virtue of reverence, after which the ethical issues unique to chemistry are identified. A method for approaching ethical problems is presented. Finally, there is a large collection of specific ethical problems, or cases, each followed by a commentary where the issues raised by that case are discussed.
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This book is an introduction to professional ethics in chemistry. After a brief overview of ethical theory, it provides a detailed discussion of professional ethic for chemists based on the view that the specific codes of conduct derive from a moral ideal. The moral ideal presented here has three parts. The first refers to the practice of science, the second to relationships within the scientific community and the third to the relationship between science and society, particularly the uses of science. The question of why a scientist should obey the professional code is discussed in terms of the virtue of reverence, after which the ethical issues unique to chemistry are identified. A method for approaching ethical problems is presented. Finally, there is a large collection of specific ethical problems, or cases, each followed by a commentary where the issues raised by that case are discussed.
Nalini Bhushan and Stuart Rosenfeld (eds)
- Published in print:
- 2000
- Published Online:
- November 2020
- ISBN:
- 9780195128345
- eISBN:
- 9780197561416
- Item type:
- book
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780195128345.001.0001
- Subject:
- Chemistry, Theoretical Chemistry
Of Minds and Molecules is the first anthology devoted exclusively to work in the philosophy of chemistry. The essays, written by both chemists and philosophers, adopt distinctive ...
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Of Minds and Molecules is the first anthology devoted exclusively to work in the philosophy of chemistry. The essays, written by both chemists and philosophers, adopt distinctive philosophical perspectives on chemistry and collectively offer both a conceptualization of and a justification for this emerging field.
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Of Minds and Molecules is the first anthology devoted exclusively to work in the philosophy of chemistry. The essays, written by both chemists and philosophers, adopt distinctive philosophical perspectives on chemistry and collectively offer both a conceptualization of and a justification for this emerging field.
C. G. Gray and K. E. Gubbins
- Published in print:
- 1984
- Published Online:
- November 2020
- ISBN:
- 9780198556022
- eISBN:
- 9780191919251
- Item type:
- book
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780198556022.001.0001
- Subject:
- Chemistry, Theoretical Chemistry
Tomas Baer and William L. Hase
- Published in print:
- 1996
- Published Online:
- November 2020
- ISBN:
- 9780195074949
- eISBN:
- 9780197560297
- Item type:
- book
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780195074949.001.0001
- Subject:
- Chemistry, Theoretical Chemistry
This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular ...
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This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.
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This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.
African Art Reframed
Against Sustainability
All Things Harmless, Useful, and Ornamental
America's Israel
American Unemployment
Anna of Denmark
Anthropology after Gluckman
The Ascent of Market Efficiency
The Battle of Ideas in the Labour Party
