Electron Densities In Molecular And Molecular Orbitals
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Author | : J.R. Van Wazer |
Publisher | : Elsevier |
Total Pages | : 117 |
Release | : 2012-12-02 |
Genre | : Science |
ISBN | : 032316112X |
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.
Author | : Ronald J Gillespie |
Publisher | : Courier Corporation |
Total Pages | : 274 |
Release | : 2013-03-21 |
Genre | : Science |
ISBN | : 0486310523 |
Valence Shell Electron Pair Repulsion (VSEPR) theory is a simple technique for predicting the geometry of atomic centers in small molecules and molecular ions. This authoritative reference was written by Istvan Hartiggai and the developer of VSEPR theory, Ronald J. Gillespie. In addition to its value as a text for courses in molecular geometry and chemistry, it constitutes a classic reference for professionals. Starting with coverage of the broader aspects of VSEPR, this volume narrows its focus to a succinct survey of the methods of structural determination. Additional topics include the applications of the VSEPR model and its theoretical basis. Helpful data on molecular geometries, bond lengths, and bond angles appear in tables and other graphics.
Author | : Chérif F. Matta |
Publisher | : John Wiley & Sons |
Total Pages | : 978 |
Release | : 2010-01-14 |
Genre | : Science |
ISBN | : 352762922X |
Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).
Author | : Robert J. Ouellette |
Publisher | : Elsevier |
Total Pages | : 615 |
Release | : 2014-11-04 |
Genre | : Science |
ISBN | : 012801864X |
Organic Chemistry Study Guide: Key Concepts, Problems, and Solutions features hundreds of problems from the companion book, Organic Chemistry, and includes solutions for every problem. Key concept summaries reinforce critical material from the primary book and enhance mastery of this complex subject. Organic chemistry is a constantly evolving field that has great relevance for all scientists, not just chemists. For chemical engineers, understanding the properties of organic molecules and how reactions occur is critically important to understanding the processes in an industrial plant. For biologists and health professionals, it is essential because nearly all of biochemistry springs from organic chemistry. Additionally, all scientists can benefit from improved critical thinking and problem-solving skills that are developed from the study of organic chemistry. Organic chemistry, like any "skill", is best learned by doing. It is difficult to learn by rote memorization, and true understanding comes only from concentrated reading, and working as many problems as possible. In fact, problem sets are the best way to ensure that concepts are not only well understood, but can also be applied to real-world problems in the work place. - Helps readers learn to categorize, analyze, and solve organic chemistry problems at all levels of difficulty - Hundreds of fully-worked practice problems, all with solutions - Key concept summaries for every chapter reinforces core content from the companion book
Author | : Felipe de Almeida La Porta |
Publisher | : Springer Nature |
Total Pages | : 528 |
Release | : 2020-01-02 |
Genre | : Technology & Engineering |
ISBN | : 3030314030 |
In this book, the authors discuss some of the main challenges and new opportunities in science and engineering research, which involve combining computational and experimental approaches as a promising strategy for arriving at new insights into composition–structure–property relations, even at the nanoscale. From a practical standpoint, the authors show that significant improvements in the material/biomolecular foresight by design, including a fundamental understanding of their physical and chemical properties, are vital and will undoubtedly help us to reach a new technological level in the future.
Author | : Philip Coppens |
Publisher | : International Union of Crystallography |
Total Pages | : 373 |
Release | : 1997-05-08 |
Genre | : Science |
ISBN | : 0195356942 |
This book deals with the electron density distribution in molecules and solids as obtained experimentally by X-ray diffraction. It is a comprehensive treatment of the methods involved, and the interpretation of the experimental results in terms of chemical bonding and intermolecular interactions. Inorganic and organic solids, as well as metals, are covered in the chapters dealing with specific systems. As a whole, this monograph is especially appealing because of its broad interface with numerous disciplines. Accurate X-ray diffraction intensities contain fundamental information on the charge distribution in crystals, which can be compared directly with theoretical results, and used to derive other physical properties, such as electrostatic moments, the electrostatic potential and lattice energies, which are accessible by spectroscopic and thermodynamic measurements. Consequently, the work will be of great interest to a broad range of crystallographers and physical scientists.
Author | : Raymond Chang |
Publisher | : University Science Books |
Total Pages | : 706 |
Release | : 2005-02-11 |
Genre | : Science |
ISBN | : 9781891389337 |
This book is ideal for use in a one-semester introductory course in physical chemistry for students of life sciences. The author's aim is to emphasize the understanding of physical concepts rather than focus on precise mathematical development or on actual experimental details. Subsequently, only basic skills of differential and integral calculus are required for understanding the equations. The end-of-chapter problems have both physiochemical and biological applications.
Author | : Ashok K. Singh |
Publisher | : Academic Press |
Total Pages | : 556 |
Release | : 2015-11-24 |
Genre | : Medical |
ISBN | : 012801492X |
Engineered Nanoparticles: Structure, Properties and Mechanisms of Toxicity is an indispensable introduction to engineered nanomaterials (ENM) and their potential adverse effects on human health and the environment. Although research in the area of pharmacology and toxicology of ENM is rapidly advancing, a possible correlation between their physicochemical properties and biomedical properties or toxicity is not yet fully understood. This understanding is essential to develop strategies for the safe applications and handling of ENM. The book comprehensively defines the current understanding of ENM toxicity, first describing these materials and their physicochemical properties, and then discussing the toxicological theory and methodology before finally demonstrating the potential impact of ENM on the environment and human health. It represents an essential reference for students and investigators in toxicology, pharmacology, chemistry, material sciences, medicine, and those in related disciplines who require an introduction to ENM and their potential toxicological effects. - Provides state-of-the-art physicochemical descriptions and methodologies for the characterization of engineered nanomaterials (ENM) - Describes the potential toxicological effects of ENM and the nanotoxicological mechanisms of action - Presents how to apply theory to practice in a public health and risk assessment setting
Author | : Riccardo Freccero |
Publisher | : Springer |
Total Pages | : 221 |
Release | : 2021-11-17 |
Genre | : Technology & Engineering |
ISBN | : 9783030589943 |
The thesis focuses on the syntheses, structural characterizations and chemical bonding analyses for several ternary R–M–Ge (R = rare earth metal; M = another metal) intermetallics. The challenges in understanding the main interactions governing the chemistry of these compounds, which lead to our inability to predict their formation, structure and properties, are what provided the motivation for this study. In particular, the R2MGe6 (M = Li, Mg, Al, Cu, Zn, Pd, Ag), R4MGe10-x (M = Li, Mg), R2Pd3Ge5, Lu5Pd4Ge8, Lu3Pd4Ge4 and Yb2PdGe3 phases were synthesized and structurally characterized. Much effort was put into the stabilization of metastable phases, employing the innovative metal flux method, and into the accurate structure solution of twinned crystals. Cutting-edge position-space chemical bonding techniques were combined with new methodologies conceived to correctly describe the Ge–M, Ge–La and also La–M polar-covalent interactions for the La2MGe6 (M = Li, Mg, Al, Cu, Zn, Pd, Ag) series. The present results constitute a step forward in our comprehension of ternary germanide chemistry as well as providing a good playground for further investigations.
Author | : Gilbert Newton Lewis |
Publisher | : |
Total Pages | : 184 |
Release | : 1923 |
Genre | : Science |
ISBN | : |