Computational Molecular Science
John Wiley & Sons Inc (Verlag)
978-0-470-72307-4 (ISBN)
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Easy access to information on all aspects of molecular computations
Order the six-volume set today and benefit from the special introductory price – full details below
Computational Molecular Science is the successor of the highly acclaimed Encyclopedia of Computational Chemistry, which was published by Wiley in 1998, and is the ultimate resource on all aspects of computational chemistry and its applications in chemistry, biology and materials science.
Capturing the interdisciplinary flavour of the field, authors address key topics from differing perspectives such as chemistry, biology and materials science.
In order to make the material accessible to students, practitioners and researchers alike the content is presented at different depths and levels in a range of article types:
Overviews provide broad and non-technical treatment of important topics at an accessible level
Key areas of research in the style of leading review journals are presented in Advanced Reviews for researchers and advanced students
Focus Articles present short, technical contributions describing specific real-world issues, e.g. implementations etc.
Software Reviews feature specific software packages of high utility in the field, with an emphasis on their capabilities and implementation rather than methodology
Opinions present individual perspectives from thought leaders in the field
A special focus has been placed on computations and modeling of relevant biomolecules which are essential to new developments in medicinal chemistry.
Covering all areas relevant to the understanding of computational molecular methods the content is structured in the following sections:
Computer and Information Science includes a wide range of techniques and applications used in cheminformatics, such as artificial intelligence, patent information, semantic web, data mining, automated synthesis design, etc.
Electronic Structure Theory covers computations of molecules based on ab initio quantum molecular methods and density functional theory
Simulation Methods includes free energy methods, molecular dynamics, Monte-Carlo methods and molecular mechanics
Software describes examples of commercial and shareware software packages for molecular computations and modeling
Structure and Mechanism concentrates on applications in the areas of computational biochemistry and biophysics, computational materials science, molecular structures and dynamics, and reaction mechanisms
Theoretical and Physical Chemistry includes reaction dynamics, kinetics and spectroscopy
Editor-in-Chief: Peter R. Schreiner, Justus-Liebig-University, Giessen, Germany Curriculum vitae Full professor of Organic Chemistry, Justus-Liebig-University Giessen, 2002–today Associate Professor of Organic Chemistry, Univ. of Georgia, Athens, USA, 1999–2002 Habilitation, Georg-August-Universität Göttingen, 1996–1999 Project Coordinator, The Encyclopedia of Computational Chemistry, 1995–1996 Ph.D. (Computational Chemistry, Prof. Henry F. Schaefer III), UGA, Athens, USA, 1995 Dr. rer. nat. (Organic Chemistry, Prof. Paul v. R. Schleyer), Univ. Erlangen, 1994 Dipl. Chem. (Organic Chemistry, Prof. Paul v. R. Schleyer), Univ. Erlangen, 1992 M. Sc. (Organic Chemistry, Prof. Richard. K. Hill), UGA, 1991 Selected Associations and Functions Associate Editor, The Beilstein Journal of Organic Chemistry, 2011–today Member of the University Senate, 2011-today Speaker of the list "Vereinigte Professoren", 2010-today Head, Association of German Chemistry Professors (Arbeitsgemeinschaft deutscher Universitätsprofessoren Chemie, ADUC), 2011-2013 Chairman, Dechema Section on "Kinetics and Reaction Mechanisms", 2008-today Editor-in-Chief, WIRES-Computational Molecular Sciences, 2008-today Associate Editor, The Encyclopedia of Computational Chemistry, 1996 - 1998 Editor, The Journal of Computational Chemistry, 2000-today Associate Editors: Wesley D. Allen, Associate Professor, Department of Chemsitry, University of Georgia, Athens, USA. Walter Thiel, Director of Institute for Theoretical Chemistry, Max-Planck-Institut für Kohlenforschung, Germany. Modesto Orozco, Professor and Group Leader of the Institute of Molecular Modelling and Bioinformatics, Institute for Research in Biomedicine, Barcelona, Spain. Peter Willett, Professor of Information Science, University of Sheffield, UK.
Table of Figures vi
Acknowledgments vii
Abbreviations viii
Primary Sources Consulted ix
Introduction. The Welsh Campbell 1
Chapter 1 1734-40 43
Chapter 2 1741-2 63
Chapter 3 1743 121
Chapter 4 1744-51 153
Chapter 5 1755-6 203
Chapter 6 1757-8 227
Chapter 7 1760-4 246
Chapter 8 1765-6 269
Chapter 9 1767-71 306
Appendices: Campbell's Political Essays and Other Political Writings
1 Account of the Pembrokeshire Election (1727) 319
2 Copy of a Letter to a Nonjuring Gentleman in Scotland Writ in the year 1727 321
3 Essay on the Act of Settlement c.1758 330
4 Comments on the Preface to Spelman's Sixth Book of Polybius, and upon P. Francis' Orations of Demosthenes (c.1759) 338
5 The Substance of a Letter, to a Friend in Scotland upon the Militia Scheme, August 1762 349
6 Statement upon the Removal of Army Officers from the House of Commons, 1765 357
7 Observations (c. 1770) 358
8 Some Account of the Great Demagogue, 1765 362
Index 369
| Erscheint lt. Verlag | 18.4.2014 |
|---|---|
| Verlagsort | New York |
| Sprache | englisch |
| Maße | 239 x 315 mm |
| Themenwelt | Mathematik / Informatik ► Informatik ► Theorie / Studium |
| Naturwissenschaften ► Chemie ► Physikalische Chemie | |
| ISBN-10 | 0-470-72307-6 / 0470723076 |
| ISBN-13 | 978-0-470-72307-4 / 9780470723074 |
| Zustand | Neuware |
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