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Author | Title | Accn# | Year | Item Type | Claims |
| 1 |
Gabbar, Hossam A |
The Design of a Practical Enterprise Safety Management System |
I10978 |
2004 |
eBook |
|
| 2 |
Derouane, E.G |
Combinatorial Catalysis and High Throughput Catalyst Design and Testing |
I10633 |
2000 |
eBook |
|
| 3 |
Grozin, Andrey |
Introduction to Mathematica?? for Physicists |
I08398 |
2014 |
eBook |
|
| 4 |
Paolo Pasini (ed.) |
Computer Simulations of Liquid Crystals and Polymers |
I05551 |
2005 |
eBook |
|
| 5 |
Catlow, Richard |
Computer Modelling of Fluids Polymers and Solids |
I04679 |
1990 |
eBook |
|
| 6 |
Fausto, Rui |
Recent Experimental and Computational Advances in Molecular Spectroscopy |
I04446 |
1993 |
eBook |
|
| 7 |
Wipff, G |
Computational Approaches in Supramolecular Chemistry |
I04226 |
1994 |
eBook |
|
| 8 |
Taylor, William R |
Patterns in Protein Sequence and Structure |
I03038 |
1992 |
eBook |
|
| 9 |
Bertr??n, Juan |
Molecular Aspects of Biotechnology: Computational Models and Theories |
I02213 |
1992 |
eBook |
|
| 10 |
Allen, M.P |
Computer Simulation in Chemical Physics |
I01990 |
1993 |
eBook |
|
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1.
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| Title | The Design of a Practical Enterprise Safety Management System |
| Author(s) | Gabbar, Hossam A;Suzuki, Kazuhiko |
| Publication | Dordrecht, Springer Netherlands, 2004. |
| Description | XXII, 231 p : online resource |
| Abstract Note | This book presents design guidelines and implementation approaches for enterprise safety management system as integrated within enterprise integrated systems. It shows new model-based safety management where process design automation is integrated with enterprise business functions and components. It proposes new system engineering approach addressed to new generation chemical industry. It will help both the undergraduate and professional readers to build basic knowledge about issues and problems of designing practical enterprise safety management system, while presenting in clear way, the system and information engineering practices to design enterprise integrated solution |
| ISBN,Price | 9781402029493 |
| Keyword(s) | 1. CHEMISTRY
2. Chemoinformatics
3. COMPLEXITY
4. COMPUTATIONAL COMPLEXITY
5. Computer Applications in Chemistry
6. Computer-aided engineering
7. Computer-Aided Engineering (CAD, CAE) and Design
8. EBOOK
9. EBOOK - SPRINGER
10. Industrial safety
11. PHYSICS
12. Physics, general
13. QUALITY CONTROL
14. Quality Control, Reliability, Safety and Risk
15. RELIABILITY
16. Safety in Chemistry, Dangerous Goods
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I10978 |
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On Shelf |
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2.
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| Title | Combinatorial Catalysis and High Throughput Catalyst Design and Testing |
| Author(s) | Derouane, E.G;Lemos, Francisco;Corma, Avelino;Ram??a Ribeiro, Fernando |
| Publication | Dordrecht, Springer Netherlands, 2000. |
| Description | X, 512 p. 137 illus : online resource |
| Abstract Note | Catalysts are central in modern industrial chemistry and there is an urgent need to develop new catalysts. Such a rapid pace of development brings with it a new set of challenges at all levels of research, from synthesis and characterization to testing and modelling. This book reviews the current status of combinatorial catalysis, scientific catalyst design techniques, methods for preparing inorganic combinatorial libraries, experimental design methods, data processing, system modelling an simulation, and catalyst testing. The individual contributions reveal the development of high throughput catalyst design and test methods and identify the main challenges in the field, including new catalyst preparation techniques, rapid performance evaluation, and new microreactor configurations. Readership: All those working in catalytic process analysis and development. The extensive review of catalysis principles is especially relevant for postgraduate students seeking to pursue studies in catalysis |
| ISBN,Price | 9789401143295 |
| Keyword(s) | 1. CHEMICAL ENGINEERING
2. Chemoinformatics
3. Computer Applications in Chemistry
4. EBOOK
5. EBOOK - SPRINGER
6. Industrial Chemistry/Chemical Engineering
7. PHYSICAL CHEMISTRY
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I10633 |
|
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On Shelf |
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3.
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| Title | Introduction to Mathematica?? for Physicists |
| Author(s) | Grozin, Andrey |
| Publication | Cham, Springer International Publishing, 2014. |
| Description | X, 219 p : online resource |
| Abstract Note | Mathematica is the most widely used system for doing mathematical calculations by computer, including symbolic and numeric calculations and graphics. It is used in physics and other branches of science, in mathematics, education and many other areas. Many important results in physics would never be obtained without a wide use of computer algebra. This book describes ideas of computer algebra and the language of the Mathematica system. It also contains a number of examples, mainly from physics, also from mathematics and chemistry. After reading this book and solving problems in it, the reader will be able to use Mathematica efficiently for solving his/her own problems |
| ISBN,Price | 9783319008943 |
| Keyword(s) | 1. Chemoinformatics
2. Computer Applications in Chemistry
3. EBOOK
4. EBOOK - SPRINGER
5. Mathematical Applications in the Physical Sciences
6. MATHEMATICAL PHYSICS
7. NUCLEAR PHYSICS
8. Numerical and Computational Physics, Simulation
9. Particle and Nuclear Physics
10. PHYSICS
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I08398 |
|
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On Shelf |
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4.
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| Title | Computer Simulations of Liquid Crystals and Polymers : Proceedings of the NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers, Erice, Italy. 16-22 July 2003 |
| Author(s) | Paolo Pasini (ed.);Claudio Zannoni (ed.);Slobodan Zumer (ed.) |
| Publication | Dordrecht, Springer Netherlands, 2005. |
| Description | XVI, 364 p : online resource |
| Abstract Note | Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas |
| ISBN,Price | 9781402027604 |
| Keyword(s) | 1. Chemistry, Physical and theoretical
2. Chemoinformatics
3. Computer Applications in Chemistry
4. CONDENSED MATTER
5. CONDENSED MATTER PHYSICS
6. EBOOK
7. EBOOK - SPRINGER
8. Numerical and Computational Physics, Simulation
9. PHYSICS
10. Polymer Sciences
11. Polymers????
12. Theoretical and Computational Chemistry
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I05551 |
|
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On Shelf |
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5.
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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
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I04679 |
|
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On Shelf |
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6.
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| Title | Recent Experimental and Computational Advances in Molecular Spectroscopy |
| Author(s) | Fausto, Rui |
| Publication | Dordrecht, Springer Netherlands, 1993. |
| Description | XIX, 454 p : online resource |
| Abstract Note | Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed. This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective. (short text) This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective |
| ISBN,Price | 9789401119740 |
| Keyword(s) | 1. Atomic, Molecular, Optical and Plasma Physics
2. ATOMS
3. Chemistry, Physical and theoretical
4. Chemoinformatics
5. Computer Applications in Chemistry
6. EBOOK
7. EBOOK - SPRINGER
8. PHYSICAL CHEMISTRY
9. PHYSICS
10. Theoretical and Computational Chemistry
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I04446 |
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On Shelf |
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7.
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| Title | Computational Approaches in Supramolecular Chemistry |
| Author(s) | Wipff, G |
| Publication | Dordrecht, Springer Netherlands, 1994. |
| Description | XV, 531 p : online resource |
| Abstract Note | Supramolecular chemistry has been defined by J.-M. Lehn as "a highly interdisciplinary field of science covering the chemical, physical, and biological features of chemical species of higher complexity, that are held together and organized by means of intermolecular (noncovalent) binding interactions" (Science, 1993). Recognition, reactivity, and transport represent three basic functional features, in essence dynami~s, which may be translated into structural features. The purpose of the NATO workshop which took place september 1-5, 1993 at the Bischenberg (near Strasbourg) was to present computations which may contribute to the atomic level understanding of the structural and thermodynamical features involved in the processes of molecular recognition and supramolecular organization. of "supra-molecular modeling". Other The main focus was therefore, on the many facets applications of computers in chemistry, such as automation, simulation of processes, procedures for fitting kinetic or thermodynamic data, computer assisted synthetic strategies, use of data bases for structure elucidation or for bibliographic searches, have an obvious impact in supramolecular chemistry as well, but were not presented at the workshop |
| ISBN,Price | 9789401110587 |
| Keyword(s) | 1. Chemistry, Physical and theoretical
2. Chemoinformatics
3. Computer Applications in Chemistry
4. COMPUTER GRAPHICS
5. EBOOK
6. EBOOK - SPRINGER
7. PHYSICAL CHEMISTRY
8. Theoretical and Computational Chemistry
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I04226 |
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On Shelf |
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8.
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| Title | Patterns in Protein Sequence and Structure |
| Author(s) | Taylor, William R |
| Publication | Berlin, Heidelberg, Springer Berlin Heidelberg, 1992. |
| Description | XII, 262 p : online resource |
| Abstract Note | The contents of this volume derive loosely from an EMBO worksh9P held at EMBL (Heidelberg) towards the end of 1989. The topic of Patterns in Protein Sequence and Structure attracted a wide range of participants, from biochemists to computer scientists, and that diversity has, to some extent, remained in the contributions to this volume. The problems of interpreting biological sequence data are to an increasing extent forcing molecular biologists to learn the language of computers, including at times, even the abstruse language of the computer scientists themselves. While, on their side, the computer scientists have discovered a veritable honey-pot of real data on which to test their algorithms. This enforced meeting of two otherwise alien fields has resulted in some difficulties in communication and it was an aim of the EMBO workshop to help resolve these. By the end, most biologists at the meeting had, at least, heard the terms Dynamic Programming and Regular Expression while for their part the computer programmers began to realise that protein sequences might be more than simple Markov chains in a 20-letter alphabet. Thanks to the modern facilities at EMBL, the three day meeting was video-taped and from this a transcript was taken and offered to the speakers as the basis for a contribution to this volume |
| ISBN,Price | 9783642766374 |
| Keyword(s) | 1. BIOCHEMISTRY
2. Biochemistry, general
3. Bioinformatics??
4. Biological and Medical Physics, Biophysics
5. BIOLOGICAL PHYSICS
6. BIOPHYSICS
7. Biotechnology
8. Chemoinformatics
9. Computational biology??
10. Computer Appl. in Life Sciences
11. Computer Applications in Chemistry
12. EBOOK
13. EBOOK - SPRINGER
14. Health informatics
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I03038 |
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On Shelf |
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9.
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| Title | Molecular Aspects of Biotechnology: Computational Models and Theories |
| Author(s) | Bertr??n, Juan |
| Publication | Dordrecht, Springer Netherlands, 1992. |
| Description | XIV, 332 p. 23 illus : online resource |
| Abstract Note | Although biotechnology emerged from the genetic engineering revolution of the '70s, the knowledge of the structure of genes revealed its molecular aspects. Molecular biotechnology is a multidisciplinary domain of research in which experiments, simulations, and theories interact. At present, the huge increase in computer power allows us to carry out numerical simulations of biochemical systems. However, a fundamental question appears concerning the sophistication of the model utilized to capture the main features of biomolecules and biochemical processes. In the present book a group of leading specialists in molecular biotechnology provides an answer to this question. This book is thus an excellent tool for those researchers wishing to know the state-of-the-art in this domain. The book spans the range from molecular conformations through protein folding, and from chemical reactivity through enzymatic action. Furthermore, it formulates recommendations for future research in molecular biotechnology |
| ISBN,Price | 9789401125383 |
| Keyword(s) | 1. BIOCHEMISTRY
2. Biochemistry, general
3. Biotechnology
4. Chemoinformatics
5. Computer Applications in Chemistry
6. EBOOK
7. EBOOK - SPRINGER
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I02213 |
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On Shelf |
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10.
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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
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| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I01990 |
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On Shelf |
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