Molecular Modelling for Beginners

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Publisher : John Wiley & Sons
ISBN 13 : 1119964814
Total Pages : 369 pages
Book Rating : 4.1/5 (199 download)

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Book Synopsis Molecular Modelling for Beginners by : Alan Hinchliffe

Download or read book Molecular Modelling for Beginners written by Alan Hinchliffe and published by John Wiley & Sons. This book was released on 2011-08-17 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs. Revised with changes in emphasis and presentation to appeal to the modern student.

Chemical Modelling

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Publisher : Royal Society of Chemistry
ISBN 13 : 1839161701
Total Pages : 196 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Chemical Modelling by : Professor Michael Springborg

Download or read book Chemical Modelling written by Professor Michael Springborg and published by Royal Society of Chemistry. This book was released on 2021-05-05 with total page 196 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, isomerism in polyoxometalate chemistry, modelling molecular magnets, molecular modelling of cyclodextrin inclusion complexes and graphene nanoribbons heterojunctions.

Chemical Modelling

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Publisher : Royal Society of Chemistry
ISBN 13 : 9780854042647
Total Pages : 454 pages
Book Rating : 4.0/5 (426 download)

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Book Synopsis Chemical Modelling by : Alan Hinchliffe

Download or read book Chemical Modelling written by Alan Hinchliffe and published by Royal Society of Chemistry. This book was released on 2004 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Chemical Modelling

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Publisher : Royal Society of Chemistry
ISBN 13 : 1788010043
Total Pages : 264 pages
Book Rating : 4.7/5 (88 download)

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Book Synopsis Chemical Modelling by : Michael Springborg

Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2018-02-21 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of hot topics and active areas in computational chemistry and related fields. With the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in these areas. Containing both comprehensive and critical reviews, this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.

Computational Flow Modeling for Chemical Reactor Engineering

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Publisher : Academic Press
ISBN 13 : 0125769601
Total Pages : 476 pages
Book Rating : 4.1/5 (257 download)

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Book Synopsis Computational Flow Modeling for Chemical Reactor Engineering by : Vivek V. Ranade

Download or read book Computational Flow Modeling for Chemical Reactor Engineering written by Vivek V. Ranade and published by Academic Press. This book was released on 2002 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book relates the individual aspects of chemical reactor engineering and computational flow modeling in a coherent way to explain the potential of computational flow modeling for reactor engineering research and practice.

Chemical Applications of Molecular Modelling

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Publisher :
ISBN 13 :
Total Pages : 244 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Chemical Applications of Molecular Modelling by : Jonathan M. Goodman

Download or read book Chemical Applications of Molecular Modelling written by Jonathan M. Goodman and published by . This book was released on 1998 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the molecular modeling, enabling the nonspecialist to appreciate the power as well as the limitations of the computational tools available and giving a background to the methods used and how they were developed. It also provides examples of how molecular modeling has been used to address chemical questions commonly asked by the experimental chemist, and includes practical examples and case studies. 143 illus.

Modelling of Chemical Process Systems

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Author :
Publisher : Elsevier
ISBN 13 : 0128241993
Total Pages : 360 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Modelling of Chemical Process Systems by : Syed Ahmad Imtiaz

Download or read book Modelling of Chemical Process Systems written by Syed Ahmad Imtiaz and published by Elsevier. This book was released on 2023-07-25 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Models and simulations are widely being used for design, optimization, fault detection and diagnosis, and various other decision-making purposes. Increasingly, models are developed at different scales and levels, all the way from molecular level to the large-scale process systems scale. Modelling of Chemical Process Systems gives readers a feel for the multiscale modelling. As models have been developed for various applications, a general systematic method for building model has emerged. This book starts with the history of modelling and its usefulness, describing modelling steps in detail. Examples have been chosen carefully from both conventional chemical process systems to contemporary systems, including fuel cell and bioprocesses. Modelling theories are complemented with case studies that explain step-by-step modelling methodologies. This book also introduces the application of machine learning techniques to model chemical process systems. This makes the book an indispensable reference for academics and professionals working in modelling and simulation. Includes case studies that explain step-by-step modelling methodologies Covers detailed multiscale modelling of chemical processes, providing examples from traditional and novel areas Provides modelling insight at micro and macro-scale levels, including machine learning techniques

Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering

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Author :
Publisher : CRC Press
ISBN 13 : 1482205939
Total Pages : 424 pages
Book Rating : 4.4/5 (822 download)

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Book Synopsis Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering by : Ashok Kumar Verma

Download or read book Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering written by Ashok Kumar Verma and published by CRC Press. This book was released on 2014-10-17 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of simulation plays a vital part in developing an integrated approach to process design. By helping save time and money before the actual trial of a concept, this practice can assist with troubleshooting, design, control, revamping, and more. Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering explores ef

Chemical Reactor Modeling

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Publisher : Springer Science & Business Media
ISBN 13 : 3319050923
Total Pages : 1589 pages
Book Rating : 4.3/5 (19 download)

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Book Synopsis Chemical Reactor Modeling by : Hugo A. Jakobsen

Download or read book Chemical Reactor Modeling written by Hugo A. Jakobsen and published by Springer Science & Business Media. This book was released on 2014-04-02 with total page 1589 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Reactor Modeling closes the gap between Chemical Reaction Engineering and Fluid Mechanics. The second edition consists of two volumes: Volume 1: Fundamentals. Volume 2: Chemical Engineering Applications In volume 1 most of the fundamental theory is presented. A few numerical model simulation application examples are given to elucidate the link between theory and applications. In volume 2 the chemical reactor equipment to be modeled are described. Several engineering models are introduced and discussed. A survey of the frequently used numerical methods, algorithms and schemes is provided. A few practical engineering applications of the modeling tools are presented and discussed. The working principles of several experimental techniques employed in order to get data for model validation are outlined. The monograph is based on lectures regularly taught in the fourth and fifth years graduate courses in transport phenomena and chemical reactor modeling and in a post graduate course in modern reactor modeling at the Norwegian University of Science and Technology, Department of Chemical Engineering, Trondheim, Norway. The objective of the book is to present the fundamentals of the single-fluid and multi-fluid models for the analysis of single and multiphase reactive flows in chemical reactors with a chemical reactor engineering rather than mathematical bias. Organized into 13 chapters, it combines theoretical aspects and practical applications and covers some of the recent research in several areas of chemical reactor engineering. This book contains a survey of the modern literature in the field of chemical reactor modeling.

Chemical Modelling

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Author :
Publisher : Royal Society of Chemistry
ISBN 13 : 1847550754
Total Pages : 350 pages
Book Rating : 4.8/5 (475 download)

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Book Synopsis Chemical Modelling by : Michael Springborg

Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2010-10-05 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.

Modelling and Simulation in Thermal and Chemical Engineering

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Publisher : Springer Science & Business Media
ISBN 13 : 3662041812
Total Pages : 229 pages
Book Rating : 4.6/5 (62 download)

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Book Synopsis Modelling and Simulation in Thermal and Chemical Engineering by : J. Thoma

Download or read book Modelling and Simulation in Thermal and Chemical Engineering written by J. Thoma and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 229 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main object of this advanced textbook is modelling and simulation of energetic processes by bond graphs. But even without knowledge of this powerful method, it can be used to a certain extent as an introduction to simulation in thermodynamics.

Chemical Modelling

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Publisher : Royal Society of Chemistry
ISBN 13 : 1788013697
Total Pages : 202 pages
Book Rating : 4.7/5 (88 download)

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Book Synopsis Chemical Modelling by : Michael Springborg

Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2019-11-28 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, boron clusters, molecular modeling of inclusion complexes, modelling of circular dichroism for DNA and proteins, and the interface effect of nanocomposites as electrode materials for Li/Na ion batteries.

Chemical Modelling

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Publisher : Royal Society of Chemistry
ISBN 13 : 1849734798
Total Pages : 228 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Chemical Modelling by : Michael Springborg

Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2012-11-08 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Chemical Modelling

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Publisher : Royal Society of Chemistry
ISBN 13 : 1849732787
Total Pages : 186 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Chemical Modelling by : Michael Springborg

Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2011-09-01 with total page 186 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Chemical Modelling Volume 13

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Publisher : Royal Society of Chemistry
ISBN 13 : 1782625410
Total Pages : 292 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Chemical Modelling Volume 13 by : Michael Springborg

Download or read book Chemical Modelling Volume 13 written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2016-11-04 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of disciplines and with the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in this field. This book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, its coverage includes materials for energy storage, nanoflakes, chemical modelling of fluidics near surfaces and organic solar cells.

Computational Tools for Chemical Biology

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Publisher : Royal Society of Chemistry
ISBN 13 : 1782627006
Total Pages : 392 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Computational Tools for Chemical Biology by : Sonsoles Martín-Santamaría

Download or read book Computational Tools for Chemical Biology written by Sonsoles Martín-Santamaría and published by Royal Society of Chemistry. This book was released on 2017-11-01 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.

Modeling Chemical Systems using Cellular Automata

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Publisher : Springer Science & Business Media
ISBN 13 : 1402036906
Total Pages : 177 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Modeling Chemical Systems using Cellular Automata by : Lemont B. Kier

Download or read book Modeling Chemical Systems using Cellular Automata written by Lemont B. Kier and published by Springer Science & Business Media. This book was released on 2006-02-23 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling Chemical Systems using Cellular Automata provides a practical introduction to an exciting modeling paradigm for complex systems. The book first discusses the nature of scientific inquiry using models and simulations, and then describes the nature of cellular automata models. It then gives detailed descriptions, with examples and exercises, of how cellular automata models can be used in the study of a wide variety chemical, physical, and biochemical phenomena. Topics covered include models of water itself, solution phenomena, solution interactions with stationary systems, first- and second-order kinetic phenomena, enzyme kinetics, vapor-liquid equilibrium, and atomic and molecular excited-state kinetics. The student experiences these systems through hands-on examples and guided studies. This book is the first of its kind: a textbook and a laboratory manual about cellular automata modeling of common systems in chemistry. The book is designed to be used as a text in undergraduate courses dealing with complex systems and/or as a computational supplement to laboratory courses taught at the undergraduate level. The book includes: - Compact descriptions of a large variety of physical and chemical phenomena - Illustrative examples of simulations, with exercises for further study - An instructor's manual for use of the program The book will be of great value in undergraduate courses in chemistry, physics, biology, applied mathematics, and bioinformatics, and as a supplement for laboratory courses in introductory chemistry, organic chemistry, physical chemistry, medicinal chemistry, chemical engineering and other courses dealing with statistical and dynamic systems. It allows the exploration of a wide range of dynamic phenomena, many of which are not normally accessible within conventional laboratory settings due to limitations of time, cost, and experimental equipment. The book is both a textbook on applied Cellular Automata and a lab manual for chemistry (physics, engineering) courses with lab activity. It would supplement other lab work and be an additonal book the students would use in the course. The authors have assessed the emerging need for this kind of activity in science labs because of the cost of the practical activitites and the frequent failure of some exercises leading to lost didactic value of some experiments. This book is pioneering an alternative that will grow in use. There are no course directors who would use Cellular Automata exclusively. The authors see an emerging interest in this kind of work in courses that contain lab exercises. One such course is the graduate course that Lemont Kier gives in Life Sciences about complexity. He uses many examples and studies from Cellular Automata in the latter part of this course.