Advances In Mathematical Chemistry And Applications

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Advances in Mathematical Chemistry and Applications: Volume 1

Author : Subhash C. Basak
Publisher : Elsevier
ISBN 13 : 1681081970
Total Pages : 378 pages
Book Rating : 4.6/5 (81 download)

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Book Synopsis Advances in Mathematical Chemistry and Applications: Volume 1 by : Subhash C. Basak

Download or read book Advances in Mathematical Chemistry and Applications: Volume 1 written by Subhash C. Basak and published by Elsevier. This book was released on 2016-02-11 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. - Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry - Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics - Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling - About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Advances in Mathematical Chemistry and Applications: Volume 2

Author : Subhash C. Basak
Publisher : Elsevier
ISBN 13 : 1681080524
Total Pages : 356 pages
Book Rating : 4.6/5 (81 download)

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Book Synopsis Advances in Mathematical Chemistry and Applications: Volume 2 by : Subhash C. Basak

Download or read book Advances in Mathematical Chemistry and Applications: Volume 2 written by Subhash C. Basak and published by Elsevier. This book was released on 2016-02-11 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. - Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry - Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics - About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Mathematical Challenges from Theoretical/Computational Chemistry

Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 030917662X
Total Pages : 143 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Mathematical Challenges from Theoretical/Computational Chemistry by : National Research Council

Download or read book Mathematical Challenges from Theoretical/Computational Chemistry written by National Research Council and published by National Academies Press. This book was released on 1995-03-29 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Applied Mathematics for Physical Chemistry

Author : James R. Barrante
Publisher : Waveland Press
ISBN 13 : 147863300X
Total Pages : 256 pages
Book Rating : 4.4/5 (786 download)

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Book Synopsis Applied Mathematics for Physical Chemistry by : James R. Barrante

Download or read book Applied Mathematics for Physical Chemistry written by James R. Barrante and published by Waveland Press. This book was released on 2016-02-10 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: By the time chemistry students are ready to study physical chemistry, they’ve completed mathematics courses through calculus. But a strong background in mathematics doesn’t necessarily equate to knowledge of how to apply that mathematics to solving physicochemical problems. In addition, in-depth understanding of modern concepts in physical chemistry requires knowledge of mathematical concepts and techniques beyond introductory calculus, such as differential equations, Fourier series, and Fourier transforms. This results in many physical chemistry instructors spending valuable lecture time teaching mathematics rather than chemistry. Barrante presents both basic and advanced mathematical techniques in the context of how they apply to physical chemistry. Many problems at the end of each chapter test students’ mathematical knowledge. Designed and priced to accompany traditional core textbooks in physical chemistry, Applied Mathematics for Physical Chemistry provides students with the tools essential for answering questions in thermodynamics, atomic/molecular structure, spectroscopy, and statistical mechanics.

Recent Advances in QSAR Studies

Author : Tomasz Puzyn
Publisher : Springer Science & Business Media
ISBN 13 : 1402097832
Total Pages : 428 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Recent Advances in QSAR Studies by : Tomasz Puzyn

Download or read book Recent Advances in QSAR Studies written by Tomasz Puzyn and published by Springer Science & Business Media. This book was released on 2010-01-19 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.

Mathematical Physics in Theoretical Chemistry

Author : S.M. Blinder
Publisher : Elsevier
ISBN 13 : 0128137010
Total Pages : 426 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Mathematical Physics in Theoretical Chemistry by : S.M. Blinder

Download or read book Mathematical Physics in Theoretical Chemistry written by S.M. Blinder and published by Elsevier. This book was released on 2018-11-26 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. - Brings together the most important aspects and recent advances in theoretical and computational chemistry - Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers - Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry

New Developments in Medicinal Chemistry

Author : Carlton Anthony Taft
Publisher : Bentham Science Publishers
ISBN 13 : 1608059545
Total Pages : 249 pages
Book Rating : 4.6/5 (8 download)

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Book Synopsis New Developments in Medicinal Chemistry by : Carlton Anthony Taft

Download or read book New Developments in Medicinal Chemistry written by Carlton Anthony Taft and published by Bentham Science Publishers. This book was released on 2014-10-10 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: This e-book series is recommended for readers who are interested in or work with current theoretical and experimental research in medicinal chemistry, with an emphasis on computer aided-drug design and organic synthesis for therapeutic purposes. The e-book series encompasses the multidisciplinary field of medicinal chemistry which overlaps the knowledge of chemistry, physics, biochemistry, biology and pharmacology. The second volume of the series contains the following topics: -Current State-of-the-Art for Virtual Screening and Docking Methods -Estimating Protein-Ligand Binding Affinity by NMR -ADME/Tox Predictions in Drug Design -Bioisosteric Replacements in Drug Design

Mathematical Physical Chemistry

Author : Shu Hotta
Publisher : Springer
ISBN 13 : 9811076715
Total Pages : 629 pages
Book Rating : 4.8/5 (11 download)

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Book Synopsis Mathematical Physical Chemistry by : Shu Hotta

Download or read book Mathematical Physical Chemistry written by Shu Hotta and published by Springer. This book was released on 2018-01-23 with total page 629 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces basic concepts of mathematical physics to chemists. Many textbooks and monographs of mathematical physics may appear daunting to them. Unlike other, related books, however, this one contains a practical selection of material, particularly for graduate and undergraduate students majoring in chemistry. The book first describes quantum mechanics and electromagnetism, with the relation between the two being emphasized. Although quantum mechanics covers a broad field in modern physics, the author focuses on a hydrogen(like) atom and a harmonic oscillator with regard to the operator method. This approach helps chemists understand the basic concepts of quantum mechanics aided by their intuitive understanding without abstract argument, as chemists tend to think of natural phenomena and other factors intuitively rather than only logically. The study of light propagation, reflection, and transmission in dielectric media is of fundamental importance. This book explains these processes on the basis of Maxwell equations. The latter half of the volume deals with mathematical physics in terms of vectors and their transformation in a vector space. Finally, as an example of chemical applications, quantum chemical treatment of methane is introduced, including a basic but essential explanation of Green functions and group theory. Methodology developed by the author will also prove to be useful to physicists.

Advanced Mathematics for Applications

Author : Andrea Prosperetti
Publisher : Cambridge University Press
ISBN 13 : 1139492683
Total Pages : 743 pages
Book Rating : 4.1/5 (394 download)

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Book Synopsis Advanced Mathematics for Applications by : Andrea Prosperetti

Download or read book Advanced Mathematics for Applications written by Andrea Prosperetti and published by Cambridge University Press. This book was released on 2011-01-06 with total page 743 pages. Available in PDF, EPUB and Kindle. Book excerpt: The partial differential equations that govern scalar and vector fields are the very language used to model a variety of phenomena in solid mechanics, fluid flow, acoustics, heat transfer, electromagnetism and many others. A knowledge of the main equations and of the methods for analyzing them is therefore essential to every working physical scientist and engineer. Andrea Prosperetti draws on many years' research experience to produce a guide to a wide variety of methods, ranging from classical Fourier-type series through to the theory of distributions and basic functional analysis. Theorems are stated precisely and their meaning explained, though proofs are mostly only sketched, with comments and examples being given more prominence. The book structure does not require sequential reading: each chapter is self-contained and users can fashion their own path through the material. Topics are first introduced in the context of applications, and later complemented by a more thorough presentation.

Advanced Calculus Explored

Author :
Publisher :
ISBN 13 : 9780578616827
Total Pages : pages
Book Rating : 4.6/5 (168 download)

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Book Synopsis Advanced Calculus Explored by :

Download or read book Advanced Calculus Explored written by and published by . This book was released on 2019-11-29 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Multi-way Analysis

Author : Age Smilde
Publisher : John Wiley & Sons
ISBN 13 : 0470012102
Total Pages : 396 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Multi-way Analysis by : Age Smilde

Download or read book Multi-way Analysis written by Age Smilde and published by John Wiley & Sons. This book was released on 2005-06-10 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an introduction to the field of multi-way analysis for chemists and chemometricians. Its emphasis is on the ideas behind the method and its pratical applications. Sufficient mathematical background is given to provide a solid understanding of the ideas behind the method. There are currently no other books on the market which deal with this method from the viewpoint of its applications in chemistry. Applicable in many areas of chemistry. No comparable volume currently available. The field is becoming increasingly important.

The CahnHilliard Equation: Recent Advances and Applications

Author : Alain Miranville
Publisher : SIAM
ISBN 13 : 1611975921
Total Pages : 231 pages
Book Rating : 4.6/5 (119 download)

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Book Synopsis The CahnHilliard Equation: Recent Advances and Applications by : Alain Miranville

Download or read book The CahnHilliard Equation: Recent Advances and Applications written by Alain Miranville and published by SIAM. This book was released on 2019-09-09 with total page 231 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first book to present a detailed discussion of both classical and recent results on the popular CahnHilliard equation and some of its variants. The focus is on mathematical analysis of CahnHilliard models, with an emphasis on thermodynamically relevant logarithmic nonlinear terms, for which several questions are still open. Initially proposed in view of applications to materials science, the CahnHilliard equation is now applied in many other areas, including image processing, biology, ecology, astronomy, and chemistry. In particular, the author addresses applications to image inpainting and tumor growth. Many chapters include open problems and directions for future research. The Cahn-Hilliard Equation: Recent Advances and Applications is intended for graduate students and researchers in applied mathematics, especially those interested in phase separation models and their generalizations and applications to other fields. Materials scientists also will find this text of interest.

Mathematical Methods for Physical and Analytical Chemistry

Author : David Z. Goodson
Publisher : John Wiley & Sons
ISBN 13 : 1118135172
Total Pages : 408 pages
Book Rating : 4.1/5 (181 download)

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Book Synopsis Mathematical Methods for Physical and Analytical Chemistry by : David Z. Goodson

Download or read book Mathematical Methods for Physical and Analytical Chemistry written by David Z. Goodson and published by John Wiley & Sons. This book was released on 2011-11-14 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Methods for Physical and Analytical Chemistry presents mathematical and statistical methods to students of chemistry at the intermediate, post-calculus level. The content includes a review of general calculus; a review of numerical techniques often omitted from calculus courses, such as cubic splines and Newton’s method; a detailed treatment of statistical methods for experimental data analysis; complex numbers; extrapolation; linear algebra; and differential equations. With numerous example problems and helpful anecdotes, this text gives chemistry students the mathematical knowledge they need to understand the analytical and physical chemistry professional literature.

Mathematics for Physical Chemistry

Author : Robert G. Mortimer
Publisher : Elsevier
ISBN 13 : 0080492886
Total Pages : 406 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Mathematics for Physical Chemistry by : Robert G. Mortimer

Download or read book Mathematics for Physical Chemistry written by Robert G. Mortimer and published by Elsevier. This book was released on 2005-06-10 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematics for Physical Chemistry, Third Edition, is the ideal text for students and physical chemists who want to sharpen their mathematics skills. It can help prepare the reader for an undergraduate course, serve as a supplementary text for use during a course, or serve as a reference for graduate students and practicing chemists. The text concentrates on applications instead of theory, and, although the emphasis is on physical chemistry, it can also be useful in general chemistry courses. The Third Edition includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The first ten chapters are constructed around a sequence of mathematical topics, with a gradual progression into more advanced material. The final chapter discusses mathematical topics needed in the analysis of experimental data. - Numerous examples and problems interspersed throughout the presentations - Each extensive chapter contains a preview, objectives, and summary - Includes topics not found in similar books, such as a review of general algebra and an introduction to group theory - Provides chemistry specific instruction without the distraction of abstract concepts or theoretical issues in pure mathematics

Frontiers in Computational Chemistry

Author : Zaheer Ul-Haq
Publisher : Bentham Science Publishers
ISBN 13 : 1681081679
Total Pages : 372 pages
Book Rating : 4.6/5 (81 download)

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Book Synopsis Frontiers in Computational Chemistry by : Zaheer Ul-Haq

Download or read book Frontiers in Computational Chemistry written by Zaheer Ul-Haq and published by Bentham Science Publishers. This book was released on 2017-02-22 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The third volume of this series features four chapters covering in silico approaches to computer aided drug design, modeling of platinum and adjuvant anti-cancer drugs, allostery in proteins and studies on the theory of chemical space in electron systems.

Stochasticity in Processes

Author : Peter Schuster
Publisher : Springer
ISBN 13 : 3319395025
Total Pages : 728 pages
Book Rating : 4.3/5 (193 download)

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Book Synopsis Stochasticity in Processes by : Peter Schuster

Download or read book Stochasticity in Processes written by Peter Schuster and published by Springer. This book was released on 2016-10-14 with total page 728 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book has developed over the past fifteen years from a modern course on stochastic chemical kinetics for graduate students in physics, chemistry and biology. The first part presents a systematic collection of the mathematical background material needed to understand probability, statistics, and stochastic processes as a prerequisite for the increasingly challenging practical applications in chemistry and the life sciences examined in the second part. Recent advances in the development of new techniques and in the resolution of conventional experiments at nano-scales have been tremendous: today molecular spectroscopy can provide insights into processes down to scales at which current theories at the interface of physics, chemistry and the life sciences cannot be successful without a firm grasp of randomness and its sources. Routinely measured data is now sufficiently accurate to allow the direct recording of fluctuations. As a result, the sampling of data and the modeling of relevant processes are doomed to produce artifacts in interpretation unless the observer has a solid background in the mathematics of limited reproducibility. The material covered is presented in a modular approach, allowing more advanced sections to be skipped if the reader is primarily interested in applications. At the same time, most derivations of analytical solutions for the selected examples are provided in full length to guide more advanced readers in their attempts to derive solutions on their own. The book employs uniform notation throughout, and a glossary has been added to define the most important notions discussed.

Advanced Data Analysis and Modelling in Chemical Engineering

Author : Denis Constales
Publisher : Elsevier
ISBN 13 : 0444594841
Total Pages : 416 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis Advanced Data Analysis and Modelling in Chemical Engineering by : Denis Constales

Download or read book Advanced Data Analysis and Modelling in Chemical Engineering written by Denis Constales and published by Elsevier. This book was released on 2016-08-23 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques. Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development. - Presents the main mathematical problems and models of chemical engineering and provides the reader with contemporary methods and tools to solve them - Summarizes in a clear and straightforward way, the contemporary trends in the interaction between mathematics and chemical engineering vital to chemical engineers in their daily work - Includes classical analytical methods, computational methods, and methods of symbolic computation - Covers the latest cutting edge computational methods, like symbolic computational methods