Using Computational Methods To Teach Chemical Principles PDF Download
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Author | : Alexander Grushow |
Publisher | : |
Total Pages | : 288 |
Release | : 2020-06-15 |
Genre | : Science |
ISBN | : 9780841234208 |
Download Using Computational Methods to Teach Chemical Principles Book in PDF, ePub and Kindle
While computational chemistry methods are usually a research topic of their own, even in the undergraduate curriculum, many methods are becoming part of the mainstream and can be used to appropriately compute chemical parameters that are not easily measured in the undergraduate laboratory. These calculations can be used to help students explore and understand chemical principles and properties. Visualization and animation of structures and properties are also aids in students' exploration of chemistry. This book will focus on the use of computational chemistry as a tool to teach chemical principles in the classroom and the laboratory.
Author | : Ashley Ringer McDonald |
Publisher | : ACS Symposium |
Total Pages | : 0 |
Release | : 2022 |
Genre | : Computers |
ISBN | : 9780841298194 |
Download Teaching Programming Across the Chemistry Curriculum Book in PDF, ePub and Kindle
"Sponsored by the ACS Division of Chemical Education."
Author | : K. I. Ramachandran |
Publisher | : Springer Science & Business Media |
Total Pages | : 405 |
Release | : 2008-05-20 |
Genre | : Science |
ISBN | : 3540773045 |
Download Computational Chemistry and Molecular Modeling Book in PDF, ePub and Kindle
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Author | : Christopher J. Cramer |
Publisher | : John Wiley & Sons |
Total Pages | : 624 |
Release | : 2013-04-29 |
Genre | : Science |
ISBN | : 1118712277 |
Download Essentials of Computational Chemistry Book in PDF, ePub and Kindle
Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
Author | : Richard Dronskowski |
Publisher | : John Wiley & Sons |
Total Pages | : 300 |
Release | : 2008-01-08 |
Genre | : Science |
ISBN | : 3527612297 |
Download Computational Chemistry of Solid State Materials Book in PDF, ePub and Kindle
This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for "non"-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on those important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for all those wishing to improve their work in solid state research.
Author | : Errol G. Lewars |
Publisher | : Springer Science & Business Media |
Total Pages | : 474 |
Release | : 2007-05-08 |
Genre | : Science |
ISBN | : 0306483912 |
Download Computational Chemistry Book in PDF, ePub and Kindle
Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hückel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Author | : Jerzy Leszczynski |
Publisher | : Springer Nature |
Total Pages | : 292 |
Release | : 2021-10-21 |
Genre | : Science |
ISBN | : 3030832449 |
Download Practical Aspects of Computational Chemistry V Book in PDF, ePub and Kindle
This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference “Current Trends in Computational Chemistry”, organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent theoretical and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers.
Author | : David B. Cook |
Publisher | : Courier Corporation |
Total Pages | : 852 |
Release | : 2005-08-02 |
Genre | : Science |
ISBN | : 0486443078 |
Download Handbook of Computational Quantum Chemistry Book in PDF, ePub and Kindle
This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.
Author | : David Young |
Publisher | : John Wiley & Sons |
Total Pages | : 408 |
Release | : 2004-04-07 |
Genre | : Science |
ISBN | : 0471458430 |
Download Computational Chemistry Book in PDF, ePub and Kindle
A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics incomputational chemistry. Focuses on when and how to apply different computationaltechniques. Addresses computational chemistry connections to biochemicalsystems and polymers. Provides a prioritized list of methods for attacking difficultcomputational chemistry problems, and compares advantages anddisadvantages of various approximation techniques. Describes how the choice of methods of software affectsrequirements for computer memory and processing time.
Author | : Javier Luque |
Publisher | : Royal Society of Chemistry |
Total Pages | : 443 |
Release | : 2012 |
Genre | : Medical |
ISBN | : 1849733538 |
Download Physico-chemical and Computational Approaches to Drug Discovery Book in PDF, ePub and Kindle
This title covers a wide range of topics relevant to the development of drugs. It provides a comprehensive description of the major methodological strategies available for rational drug discovery.