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Author | Title | Accn# | Year | Item Type | Claims |
| 1 |
Catlow, Richard |
Computer Modelling of Fluids Polymers and Solids |
I04679 |
1990 |
eBook |
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| 2 |
Allen, M.P |
Computer Simulation in Chemical Physics |
I01990 |
1993 |
eBook |
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1.
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| Title | Computer Modelling of Fluids Polymers and Solids |
| Author(s) | Catlow, Richard;Parker, S.C;Allen, M.P |
| Publication | Dordrecht, Springer Netherlands, 1990. |
| Description | X, 540 p : online resource |
| Abstract Note | Computer Modelling techniques have developed very rapidly during the last decade, and interact with many contemporary scientific disciplines. One of the areas of greatest activity has concerned the modelling of condensed phases, including liquids solids and amorphous systems, where simulations have been used to provide insight into basic physical processes and in more recent years to make reliable predictions of the properties of the systems simulated. Indeed the predictive role of simulations is increasingly recognised both in academic and industrial contexts. Current active areas of application include topics as diverse as the viscosity of liquids, the conformation of proteins, the behaviour of hydrogen in metals, the diffusion of molecules in porous catalysts and the properties of micelles. This book, which is based on a NATO ASI held at the University of Bath, UK, from September 5th-17th, 1988, aims to give a general survey of this field, with detailed discussions both of methodologies and of applications. The earlier chapters of the book are devoted mainly to techniques and the later ones to recent simulation studies of fluids, polymers (including biological molecules) and solids. Special attention is paid to the role of interatomic potentials which are the fundamental physical input to simulations. In addition, developments in computer hardware are considered in depth, owing to the crucial role which such developments are playing in the expansion of the horizons of computer modelling studies |
| ISBN,Price | 9789400924840 |
| Keyword(s) | 1. Chemoinformatics
2. Computer Applications in Chemistry
3. EBOOK
4. EBOOK - SPRINGER
5. MATHEMATICAL PHYSICS
6. PHYSICAL CHEMISTRY
7. Theoretical, Mathematical and Computational Physics
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| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I04679 |
|
|
On Shelf |
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2.
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| Title | Computer Simulation in Chemical Physics |
| Author(s) | Allen, M.P;Tildesley, D.J |
| Publication | Dordrecht, Springer Netherlands, 1993. |
| Description | XII, 519 p : online resource |
| Abstract Note | Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software. All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings |
| ISBN,Price | 9789401116794 |
| Keyword(s) | 1. Characterization and Evaluation of Materials
2. Chemoinformatics
3. COMPLEX SYSTEMS
4. Computer Applications in Chemistry
5. DYNAMICAL SYSTEMS
6. EBOOK
7. EBOOK - SPRINGER
8. MATERIALS SCIENCE
9. MATHEMATICAL PHYSICS
10. PHYSICS
11. Physics, general
12. STATISTICAL PHYSICS
13. Statistical Physics and Dynamical Systems
14. Theoretical, Mathematical and Computational Physics
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I01990 |
|
|
On Shelf |
|
|
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