Electron Densities In Molecules And Molecular Orbitals
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Electron Densities In Molecular And Molecular Orbitals
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Author : J.R. Van Wazer
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Electron Densities In Molecular And Molecular Orbitals written by J.R. Van Wazer and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Electron Densities in Molecules and Molecular Orbitals aims to explain the subject of molecular orbitals without having to rely much on its mathematical aspect, making it more approachable to those who are new to quantum chemistry. The book covers topics such as orbitals in quantum-chemical calculations; electronic ionizations and transitions; molecular-orbital change distributions; orbital transformations and calculations not involving orbitals; and electron densities and shapes in atoms and molecules. Also included in the book are the cross-sectional plots of electron densities of compounds such as organic compounds like methane, ethane, and ethylene; monomeric lithium fluoride and monomeric methyl lithium; hydrogen cyanide and methinophosphide; and monomeric borane and diborane. The text is recommended for those who have begun taking an interest in quantum chemistry but do not wish to deal yet with the mathematics part of the subject.
Molecular Design
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Author : A.L. Horvath
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Molecular Design written by A.L. Horvath and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.
Chemistry For High School
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Author :
language : en
Publisher: Rex Bookstore, Inc.
Release Date :
Chemistry For High School written by and has been published by Rex Bookstore, Inc. this book supported file pdf, txt, epub, kindle and other format this book has been release on with categories.
Objective Ncert Xtract Chemistry For Neet Jee Main 5th Edition
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Author : Disha Experts
language : en
Publisher: Disha Publications
Release Date :
Objective Ncert Xtract Chemistry For Neet Jee Main 5th Edition written by Disha Experts and has been published by Disha Publications this book supported file pdf, txt, epub, kindle and other format this book has been release on with categories.
The Application Of Charge Density Research To Chemistry And Drug Design
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Author : G.A. Jeffrey
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
The Application Of Charge Density Research To Chemistry And Drug Design written by G.A. Jeffrey and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
In the past twenty years, the X-ray crystallography of organic molecules has expanded rapidly in two opposite directions. One is towards larger and larger biological macromolecules and the other is towards the fine details of the electronic structure of small molecules. Both advances required the development of more sophisticated methodologies. Both were made possible by the rapid development of computer technology. X-ray diffraction equipment has responded to these demands, in the one case by the ability to measure quickly many thousands of diffraction spectra, in the other by providing instruments capable of very high precision. Molecules interact through their electrostatic potentials and therefore their experimental and theoretical measurement and calculation is an essential component to understanding the electronic structure of chemical and biochemical reactions. In this ASI, we have brought together experts and their students from both the experimental and theoretical sides of this field, in order that they better understand the philosophy and complexity of these two complementary approaches. George A. Jeffrey Department of Crystallography University of Pittsburgh Pittsburgh, Pennsylvania 15260 USA vii CONTENTS LECTURES General Considerations on Methods for Studying Molecular Structures and Electron Density Distributions ..
Chemistry
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Author : Neil D. Jespersen
language : en
Publisher: John Wiley & Sons
Release Date : 2021-11-02
Chemistry written by Neil D. Jespersen and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-11-02 with Science categories.
Chemistry: The Molecular Nature of Matter, 8th Edition continues to focus on the intimate relationship that exists between structure at the atomic/molecular level and the observable macroscopic properties of matter. Key revisions in this edition focus on three areas: The deliberate inclusion of more updated, real-world examples that relate common, real-world student experiences to the science of chemistry. Simultaneously, examples and questions have been updated to align them with career concepts relevant to the environmental, engineering, biological, pharmaceutical and medical sciences. Providing students with transferable skills, with a focus on integrating metacognition and three-dimensional learning into the text. When students know what they know, they are better able to learn and incorporate the material. Providing a total solution through New WileyPLUS by fully integrating the enhanced etext with online assessment, answer-specific responses, and additional practice resources. The 8th edition continues to emphasize the importance of applying concepts to problem-solving to achieve high-level learning and increase retention of chemistry knowledge. Problems are arranged in an intuitive, confidence-building order.
General Chemistry
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Author : Donald A. McQuarrie
language : en
Publisher: MIT Press
Release Date : 2011-06-15
General Chemistry written by Donald A. McQuarrie and has been published by MIT Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-06-15 with Science categories.
This Fourth Edition of McQuarrie's classic text offers a thorough revision and a quantum-leap forward from the previous edition. Taking an atoms first approach, it promises to be another ground-breaking text in the tradition of McQuarrie's many previous works. This outstanding new text, available in a soft cover edition, offers professors a fresh choice and outstanding value.
Molecular Motor Based On Single Chiral Tripodal Molecules Studied With Stm
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Author : Skolaut, Julian
language : en
Publisher: KIT Scientific Publishing
Release Date : 2023-09-14
Molecular Motor Based On Single Chiral Tripodal Molecules Studied With Stm written by Skolaut, Julian and has been published by KIT Scientific Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-09-14 with categories.
This work presents a single molecular motor driven by the current in an STM. Its chiral functional group is supposed to perform a rotation in a preferred direction, proven by Binomial tests to be statistically significant. The rotation is proposedly driven by the chiral-induced spin selectivity effect (CISS). However, the studies of the rotation on the dependence on the lateral tip position, voltage and current indicate that he CISS is unlikely to cause the preferred rotation direction.
Molecular Descriptors For Chemoinformatics
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Author : Roberto Todeschini
language : en
Publisher: John Wiley & Sons
Release Date : 2009-10-30
Molecular Descriptors For Chemoinformatics written by Roberto Todeschini and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-10-30 with Science categories.
The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.
Frontier Orbitals And Reaction Paths
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Author : Kenichi Fukui
language : en
Publisher: World Scientific
Release Date : 1997
Frontier Orbitals And Reaction Paths written by Kenichi Fukui and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Science categories.
A collection of selected papers on the Frontier Orbital Theory, with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.