Atomic Charges Bond Properties And Molecular Energies
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Author | : Sandor Fliszar |
Publisher | : John Wiley & Sons |
Total Pages | : 248 |
Release | : 2008-11-03 |
Genre | : Science |
ISBN | : 0470405899 |
The first book to cover conceptual quantum chemistry, Atomic Charges, Bond Properties, and Molecular Energies deftly explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies, which are relevant in reactivity problems. This unique first-hand, self-contained presentation develops relatively uncomplicated but physically meaningful approaches to molecular properties by providing derivations of all the required formulas from scratch, developed in Professor Fliszar's laboratory. This book is vitally relevant to organic- and biochemists, molecular biologists, materials scientists, and nanoscientists.
Author | : Sandor Fliszar |
Publisher | : Springer Science & Business Media |
Total Pages | : 182 |
Release | : 2013-03-09 |
Genre | : Science |
ISBN | : 3642514928 |
Chemical bonds, their intrinsic energies in ground-state molecules and the energies required for their actual cleavage are the subject of this book. The theory, modelled after a description of valence electrons in isolated atoms, explains how intrinsic bond energies depend on the amount of electronic charge carried by the bond-forming atoms. It also explains how bond dissociation depends on these charges. While this theory vividly explains thermochemical stability, future research could benefit from a better understanding of bond dissociation: if we learn how the environment of a molecule affects its charges, we also learn how it modifies bond dissociation in that molecule. This essay is aimed at theoretical and physical-organic chemists who are looking for new perspectives to old problems.
Author | : R Sanderson |
Publisher | : Elsevier |
Total Pages | : 233 |
Release | : 2012-12-02 |
Genre | : Science |
ISBN | : 0323161952 |
Chemical Bonds and Bonds Energy, Second Edition provides information pertinent to the fundamental aspects of contributing bond energy and bond dissociation energy. This book explores the values that are useful in the interpretation of significant phenomena such as product distribution and reaction mechanisms. Organized into 12 chapters, this edition begins with an overview of the quantitative relationship among three basic properties of an atom, namely, nonpolar covalent radius, electronegativity, and homonuclear single covalent bond energy. This text then examines the quantitative means of evaluating the partial atomic charges that result from initial differences in the electromagnetivity of atoms that form a compound. Other chapters consider the recognition of the reduction of bond weakening not by multiplicity and in certain types of single covalent bonds. The final chapter deals with the application of the principal ideas and techniques to the oxidation of ethane. This book is a valuable resource for organic and inorganic chemists.
Author | : Robert Thomas Sanderson |
Publisher | : Academic Press |
Total Pages | : 238 |
Release | : 1976-06-28 |
Genre | : Science |
ISBN | : |
Chemical Bonds and Bonds Energy, Second Edition provides information pertinent to the fundamental aspects of contributing bond energy and bond dissociation energy. This book explores the values that are useful in the interpretation of significant phenomena such as product distribution and reaction mechanisms. Organized into 12 chapters, this edition begins with an overview of the quantitative relationship among three basic properties of an atom, namely, nonpolar covalent radius, electronegativity, and homonuclear single covalent bond energy. This text then examines the quantitative means of evaluating the partial atomic charges that result from initial differences in the electromagnetivity of atoms that form a compound. Other chapters consider the recognition of the reduction of bond weakening not by multiplicity and in certain types of single covalent bonds. The final chapter deals with the application of the principal ideas and techniques to the oxidation of ethane. This book is a valuable resource for organic and inorganic chemists.
Author | : Datta Sambhu N |
Publisher | : World Scientific |
Total Pages | : 460 |
Release | : 2019-02-25 |
Genre | : Science |
ISBN | : 9811200025 |
The concept of a chemical bond evolved from a variety of experimental observations. It became useful to understand, at times even predict, the molecular structure, reactivity and mechanism of chemical reactions. Every aspect of the concept of bonding received a quantitative interpretation from the advent of quantum mechanics and its application to chemistry.In Lectures on Chemical Bonding and Quantum Chemistry the reader will find a comprehensive discourse on the basic interpretation of the chemical bond as well as current understanding in terms of a 'dancing' molecule that not only travels, rotates and pulsates around an equilibrium molecular structure, but also interacts and collides with other molecules, thereby transferring linear and angular momentum characteristics and adjusting total energies. One will also find a thorough survey of quantum mechanical methodologies for calculation of molecular characteristics in specific states and their changes under spectroscopic transitions, tunneling, electron and proton transfer phenomena, and so on. Guides to more advanced levels of theory are also provided.
Author | : John S. Hutchinson |
Publisher | : Orange Grove Texts Plus |
Total Pages | : 0 |
Release | : 2009-09-24 |
Genre | : Chemistry |
ISBN | : 9781616100216 |
This is an on-line textbook for an Introductory General Chemistry course. Each module develops a central concept in Chemistry from experimental observations and inductive reasoning. This approach complements an interactive or active learning teaching approach. Additional multimedia resources can be found at: http: //cnx.org/content/col10264/1.5
Author | : S. Fliszar |
Publisher | : Springer Science & Business Media |
Total Pages | : 210 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 1461255759 |
The energy of a molecule can be studied with the help of quantum theory, a satisfactory approach because it involves only basic and clearly identified physical concepts. In an entirely different approach, the molecular energy can be broken down into individual contributions reflecting chemical bonds plus a host of subsidiary "effects", like y-gauche, skew pentane, ring-strain, etc. , giving an overall picture in terms of topological characteristics. The latter approach can be successful, particularly if a sufficient number of particular topological situations have been parametrized (which is an empir ical way of "understanding" chemistry), but also contains the seed for difficulties. Indeed, the danger exists of unduly ascribing a physical meaning to corrective terms whose function is primarily to account in an empirical fashion for discrepancies between "expected" and observed results. The link between this type of empirical approach and the knowledge that the ground state energy is uniquely determined by the electron density is lost somewhere along the road, although some of the "steric effects" are here and there vaguely traced back to electronic effects. The approach presented in this monograph goes back to the fundamen tals in that it is exclusively based on interactions involving nuclear and electronic charges. Confining the study to molecules in their equilibrium geometry, the problem of molecular energies is reduced to its electrostatic aspects, explicitly involving local electron populations.
Author | : István Mayer |
Publisher | : CRC Press |
Total Pages | : 204 |
Release | : 2016-10-14 |
Genre | : Science |
ISBN | : 1315357208 |
While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.
Author | : Paul Flowers |
Publisher | : |
Total Pages | : 0 |
Release | : 2019-02-14 |
Genre | : |
ISBN | : 9781951693008 |
Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.
Author | : Chérif F. Matta |
Publisher | : John Wiley & Sons |
Total Pages | : 567 |
Release | : 2007-04-09 |
Genre | : Science |
ISBN | : 3527307486 |
This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.