Mathematical Methods in Contemporary Chemistry PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Mathematical Methods in Contemporary Chemistry PDF full book. Access full book title Mathematical Methods in Contemporary Chemistry by Kuchanov. Download full books in PDF and EPUB format.
Author: Kuchanov
Publisher: CRC Press
ISBN: 9782884491259
Category : Mathematics
Languages : en
Pages : 622
Get Book Here
Book Description
Author: Kuchanov
Publisher: CRC Press
ISBN: 9782884491259
Category : Mathematics
Languages : en
Pages : 622
Get Book Here
Book Description
Author: Ivan Gutman
Publisher: Springer Science & Business Media
ISBN: 3642709826
Category : Science
Languages : en
Pages : 217
Get Book Here
Book Description
The present book is an attempt to outline some, certainly not all, mathematical aspects of modern organic chemistry. We have focused our attention on topological, graph-theoretical and group-theoretical features of organic chemistry, Parts A, B and C. The book is directed to all those chemists who use, or who intend to use mathe matics in their work, and especially to graduate students. The level of our exposition is adjusted to the mathematical background of graduate students of chemistry and only some knowledge of elementary algebra and calculus is required from the readers of the book. Some less well-known. but still elementary mathematical facts are collected in Appendices 1-4. This, however, does not mean that the mathematical rigor and numerous tedious, but necessary technical details have been avoided. The authors' intention was to show the reader not only how the results of mathematical chemistry look, but also how they can be obtained. In accordance with this, Part 0 of the book contains a few selected advanced topics which should give the reader the flavour of the contemporary research in mathe matical organic chemistry. One of the authors (I.G.) was an Alexander von Humboldt fellow in 1985 when the main part of the book was written. He gratefully acknowledges the financial support of the Alexander von Humboldt Foundation which enabled his stay at the Max-Planck-Institut fUr Strahlenchemie in M iilheim and the writing of this book.
Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 484
Get Book Here
Book Description
This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Author: G. Stephenson
Publisher: Courier Dover Publications
ISBN: 0486842851
Category : Mathematics
Languages : en
Pages : 544
Get Book Here
Book Description
Geared toward undergraduates in the physical sciences and related fields, this text offers a very useful review of mathematical methods that students will employ throughout their education and beyond. A few more difficult topics, such as group theory and integral equations, are introduced with the intention of stimulating interest in these areas. The treatment is supplemented with problems and answers.
Author: Raina Robeva
Publisher: Academic Press
ISBN: 0128012714
Category : Mathematics
Languages : en
Pages : 383
Get Book Here
Book Description
Written by experts in both mathematics and biology, Algebraic and Discrete Mathematical Methods for Modern Biology offers a bridge between math and biology, providing a framework for simulating, analyzing, predicting, and modulating the behavior of complex biological systems. Each chapter begins with a question from modern biology, followed by the description of certain mathematical methods and theory appropriate in the search of answers. Every topic provides a fast-track pathway through the problem by presenting the biological foundation, covering the relevant mathematical theory, and highlighting connections between them. Many of the projects and exercises embedded in each chapter utilize specialized software, providing students with much-needed familiarity and experience with computing applications, critical components of the "modern biology" skill set. This book is appropriate for mathematics courses such as finite mathematics, discrete structures, linear algebra, abstract/modern algebra, graph theory, probability, bioinformatics, statistics, biostatistics, and modeling, as well as for biology courses such as genetics, cell and molecular biology, biochemistry, ecology, and evolution. - Examines significant questions in modern biology and their mathematical treatments - Presents important mathematical concepts and tools in the context of essential biology - Features material of interest to students in both mathematics and biology - Presents chapters in modular format so coverage need not follow the Table of Contents - Introduces projects appropriate for undergraduate research - Utilizes freely accessible software for visualization, simulation, and analysis in modern biology - Requires no calculus as a prerequisite - Provides a complete Solutions Manual - Features a companion website with supplementary resources
Author: Athanassios Fokas
Publisher: World Scientific
ISBN: 180061182X
Category : Mathematics
Languages : en
Pages : 568
Get Book Here
Book Description
Modern Mathematical Methods for Scientists and Engineers is a modern introduction to basic topics in mathematics at the undergraduate level, with emphasis on explanations and applications to real-life problems. There is also an 'Application' section at the end of each chapter, with topics drawn from a variety of areas, including neural networks, fluid dynamics, and the behavior of 'put' and 'call' options in financial markets. The book presents several modern important and computationally efficient topics, including feedforward neural networks, wavelets, generalized functions, stochastic optimization methods, and numerical methods.A unique and novel feature of the book is the introduction of a recently developed method for solving partial differential equations (PDEs), called the unified transform. PDEs are the mathematical cornerstone for describing an astonishingly wide range of phenomena, from quantum mechanics to ocean waves, to the diffusion of heat in matter and the behavior of financial markets. Despite the efforts of many famous mathematicians, physicists and engineers, the solution of partial differential equations remains a challenge.The unified transform greatly facilitates this task. For example, two and a half centuries after Jean d'Alembert formulated the wave equation and presented a solution for solving a simple problem for this equation, the unified transform derives in a simple manner a generalization of the d'Alembert solution, valid for general boundary value problems. Moreover, two centuries after Joseph Fourier introduced the classical tool of the Fourier series for solving the heat equation, the unified transform constructs a new solution to this ubiquitous PDE, with important analytical and numerical advantages in comparison to the classical solutions. The authors present the unified transform pedagogically, building all the necessary background, including functions of real and of complex variables and the Fourier transform, illustrating the method with numerous examples.Broad in scope, but pedagogical in style and content, the book is an introduction to powerful mathematical concepts and modern tools for students in science and engineering.
Author: Alexandru T. Balaban
Publisher: Springer Science & Business Media
ISBN: 0306469073
Category : Science
Languages : en
Pages : 436
Get Book Here
Book Description
Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.
Author: Subhash C. Basak
Publisher: Elsevier
ISBN: 1681081970
Category : Science
Languages : en
Pages : 378
Get Book Here
Book Description
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
Author: Lin Lin
Publisher: SIAM
ISBN: 1611975808
Category : Mathematics
Languages : en
Pages : 138
Get Book Here
Book Description
Based on first principle quantum mechanics, electronic structure theory is widely used in physics, chemistry, materials science, and related fields and has recently received increasing research attention in applied and computational mathematics. This book provides a self-contained, mathematically oriented introduction to the subject and its associated algorithms and analysis. It will help applied mathematics students and researchers with minimal background in physics understand the basics of electronic structure theory and prepare them to conduct research in this area. The book begins with an elementary introduction of quantum mechanics, including the uncertainty principle and the Hartree?Fock theory, which is considered the starting point of modern electronic structure theory. The authors then provide an in-depth discussion of two carefully selected topics that are directly related to several aspects of modern electronic structure calculations: density matrix based algorithms and linear response theory. Chapter 2 introduces the Kohn?Sham density functional theory with a focus on the density matrix based numerical algorithms, and Chapter 3 introduces linear response theory, which provides a unified viewpoint of several important phenomena in physics and numerics. An understanding of these topics will prepare readers for more advanced topics in this field. The book concludes with the random phase approximation to the correlation energy. The book is written for advanced undergraduate and beginning graduate students, specifically those with mathematical backgrounds but without a priori knowledge of quantum mechanics, and can be used for self-study by researchers, instructors, and other scientists. The book can also serve as a starting point to learn about many-body perturbation theory, a topic at the frontier of the study of interacting electrons.
Author: Kai Shue Lam
Publisher: World Scientific
ISBN: 9789812384041
Category : Science
Languages : en
Pages : 628
Get Book Here
Book Description
This textbook, pitched at the advanced-undergraduate to beginning-graduate level, focuses on mathematical topics of relevance in contemporary physics that are not usually covered in texts at the same level. Its main purpose is to help students appreciate and take advantage of the modern trend of very productive symbiosis between physics and mathematics. Three major areas are covered: (1) linear operators; (2) group representations and Lie algebra representations; and (3) topology and differential geometry. The features of this work include: an exposition style which is a fusion of those common in the standard physics and mathematics literatures; a level of exposition that varies from quite elementary to moderately advanced, so that the text should be of interest to a wide audience; a strong degree of thematic unity, despite the diversity of the topics covered; and cross references, so that, from any part of the book, the reader can trace easily where specific concepts or techniques are introduced.
