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11 Allen, M.P Computer Simulation in Chemical Physics I01990 1993 eBook  
12 Pombeiro, A.J.L Molecular Electrochemistry of Inorganic, Bioinorganic and Organometallic Compounds I01634 1993 eBook  
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11.    
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TitleComputer Simulation in Chemical Physics
Author(s)Allen, M.P;Tildesley, D.J
PublicationDordrecht, Springer Netherlands, 1993.
DescriptionXII, 519 p : online resource
Abstract NoteComputer 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,Price9789401116794
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 TypeeBook
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Accession#  Call#StatusIssued ToReturn Due On Physical Location
I01990     On Shelf    

12.    
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TitleMolecular Electrochemistry of Inorganic, Bioinorganic and Organometallic Compounds
Author(s)Pombeiro, A.J.L;McCleverty, J.A
PublicationDordrecht, Springer Netherlands, 1993.
DescriptionXXIV, 667 p : online resource
Abstract NoteThe use of electrochemical techniques by chemists, particularly those who regard themselves as "inorganic" coordination chemists, has undergone a very rapid growth in the last 15-20 years. The techniques, as dassically applied to inorganic species, had their origins in analytical chemistry, and the methodology had assumed, until the mid 60s, more importance than the chemiStry. However, the growth of interest in coordination compounds (including organometallic complexes) having unusually rich of electron-transfer in bio-inorganic redox properties, and in the understanding species, has propelfed electro-chemistry into the foreground of potentially readily available techniques for application to a very wide range of problems of interest to those chemists. This growth has been fuelled additionally by the availability of relatively cheap equipment of growing sophistication and by an increase in the "inorganic" chemists' general knowledge of physical electrochemistry. In particular, with increasing availability and sophistication of eqUipment, kinetic problems are now being addressed, and the range of electrode types and configuration and solvents has been greatly expanded. Furthermore, the rapid expansion of interest in biological problems has opened new avenues in functionalisation of electrodes, in the development of sensory devices and, in a sense, a return to the analytical base of the science, using novel and multi-disciplinary techniques drawing on synthesis chemistry of and electronic micro-engeneering. The drive towards increasing use microcomputer-controlled data analysis and the development of microeledrodes has opened exciting new avenues for the exploration of chemical reactions involving electron-transfer processes
ISBN,Price9789401116282
Keyword(s)1. Analytical chemistry 2. Catalysis 3. CHEMICAL ENGINEERING 4. Chemoinformatics 5. Computer Applications in Chemistry 6. EBOOK 7. EBOOK - SPRINGER 8. Industrial Chemistry/Chemical Engineering 9. PHYSICAL CHEMISTRY
Item TypeeBook
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I01634     On Shelf    

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