Outlines of Theoretical Chemistry
Author : Frederick Hutton Getman
Publisher :
Page : 650 pages
File Size : 23,7 MB
Release : 1922
Category : Chemistry, Physical and theoretical
ISBN :
Author : Frederick Hutton Getman
Publisher :
Page : 650 pages
File Size : 23,7 MB
Release : 1922
Category : Chemistry, Physical and theoretical
ISBN :
Author : Lothar Meyer
Publisher :
Page : 296 pages
File Size : 40,67 MB
Release : 1899
Category : Chemistry, Physical and theoretical
ISBN :
Author : Frederick Hutton Getman
Publisher :
Page : 646 pages
File Size : 33,25 MB
Release : 1922
Category : Chemistry, Physical and theoretical
ISBN :
Author : Ferdinand Gerhard Wiechmann
Publisher :
Page : 260 pages
File Size : 35,64 MB
Release : 1893
Category : Chemistry, Physical and theoretical
ISBN :
Author : Errol G. Lewars
Publisher : Springer Science & Business Media
Page : 474 pages
File Size : 37,69 MB
Release : 2007-05-08
Category : Science
ISBN : 0306483912
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 : Joseph J W McDouall
Publisher : Royal Society of Chemistry
Page : 252 pages
File Size : 42,52 MB
Release : 2015-11-09
Category : Science
ISBN : 1782625860
Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.
Author : Daniel Schaum
Publisher :
Page : 256 pages
File Size : 18,11 MB
Release : 1966
Category :
ISBN : 9780705371353
Author : Nadia T. Paulsen
Publisher : Nova Science Publishers
Page : 197 pages
File Size : 49,16 MB
Release : 2020-09-24
Category : Science
ISBN : 9781536184778
In An Introduction to Electronic Structure Theory, Quantum Information Theory is applied to donor-acceptor systems. Reaction stages and charge-transfer phenomena are described, continuities of probability and phase distributions are explored, and resultant information descriptors combining classical and nonclassical contributions are summarized.The authors describe the most efficient method for studying the electronic structure of solids, the magnetic dilution method, or the study of the magnetic susceptibility of diluted solid solutions of paramagnetic oxides in diamagnetic isomorphous matrices.A review of the mathematical modeling and investigation of the electronic structure of some nanomaterials, composite materials, and graphene is presented using the Parameterized Model number 3 (PM3) semi-empirical method.A basic introduction of electronic structure theory with commonly used notation is provided, as well as its applications for studying the physical properties of materials.Lastly, based on a concept of "different prescription for different correlation", a multireference Brillouin-Wigner perturbation scheme with improved virtual orbitals is presented as an accurate and affordable computational protocol for treating electronic states plagued by quasidegeneracy.
Author : William Ripper
Publisher :
Page : 176 pages
File Size : 42,50 MB
Release : 1883
Category :
ISBN :
Author : Clyde R. Metz
Publisher : McGraw Hill Professional
Page : 532 pages
File Size : 25,67 MB
Release : 1989
Category : Juvenile Nonfiction
ISBN : 9780070417151
Confusing Textbooks? Missed Lectures? Not Enough Time? Fortunately for you, there's Schaum's Outlines. More than 40 million students have trusted Schaum's to help them succeed in the classroom and on exams. Schaum's is the key to faster learning and higher grades in every subject. Each Outline presents all the essential course information in an easy-to-follow, topic-by-topic format. You also get hundreds of examples, solved problems, and practice exercises to test your skills. This Schaum's Outline gives you Practice problems with full explanations that reinforce knowledge Coverage of the most up-to-date developments in your course field In-depth review of practices and applications Fully compatible with your classroom text, Schaum's highlights all the important facts you need to know. Use Schaum's to shorten your study time-and get your best test scores! Schaum's Outlines-Problem Solved.