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Author : Richard F. W. Bader
Publisher : Unknown
Page : 240 pages
File Size : 44,8 Mb
Release : 1970
Category : Atoms
ISBN : 0772003297
For the beginning student of chemistry without the necessary mathematical background for a rigorous study of quantum mechanics.
Author : Amin Elsersawi
Publisher : AuthorHouse
Page : 224 pages
File Size : 54,7 Mb
Release : 2013-02-12
Category : Science
ISBN : 9781481714266
The book presents the quantum theory of the electronic structure of atoms and focuses on the electronic structures and reactivity of atoms and molecules. It shows how to draw molecules such as the oxygen and water to far more complex molecules, using molecular orbital theory, and hybridization of orbitals. It gives quite clear picture of molecular polarity, together with symmetrical and unsymmetrical distribution of an atom or molecule when developing a temporary (instantaneous) dipole. The book provides a clear and comprehensive summary of oxidative and reductive processes. Electronegativity on oxidation and reduction is also introduced. Examples are provided. It enables the reader to master the principles and applications of organic functional groups. Readers will find information quickly and easily about alkanes, alkenes, alkynes and arenes. Bonding with p and s is also introduced. It explains the fundamental principles of nomenclature methods, using IUPAC (International Union of Pure and Applied Chemistry) and enables the reader to apply it accurately and with confidence. The book is replete with examples for guidance and there are extensive and complicated figures to direct the reader to nomenclature quickly. It gives hands-on chemistry activities with real-life functions. It provides clear and thorough understanding of carbohydrates, polysaccharides, starch and glycogen, cellulose and chitin, nucleotide, nitrogenous hydroxyl and phosphate, lipids, protein, ester, lipoprotein, glycolipid, steroid, mucin, etc. it is a useful reference for health professionals, practicing physicists, chemists, and materials scientists.
Author : Paul Flowers,Richard Langely,William R. Robinson,Klaus Hellmut Theopold
Publisher : Unknown
Page : 0 pages
File Size : 46,9 Mb
Release : 2019-02-14
Category : Chemistry
ISBN : 194717262X
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 : Anonim
Publisher : Unknown
Page : 62 pages
File Size : 49,6 Mb
Release : 1974
Category : Electronic
ISBN : OCLC:65154470
Author : Jean-Pierre Launay,Michel Verdaguer
Publisher : Oxford University Press
Page : 511 pages
File Size : 44,7 Mb
Release : 2013-10
Category : Science
ISBN : 9780199297788
The purpose of this book is to provide the reader with essential keys to a unified understanding of the rapidly expanding field of molecular materials and devices: electronic structures and bonding, magnetic, electrical and photo-physical properties, and the mastering of electrons in molecular electronics. Chemists will discover how basic quantum concepts allow us to understand the relations between structures, electronic structures, and properties of molecular entities and assemblies, and to design new molecules and materials. Physicists and engineers will realize how the molecular world fits in with their need for systems flexible enough to check theories or provide original solutions to exciting new scientific and technological challenges. The non-specialist will find out how molecules behave in electronics at the most minute, sub-nanosize level. The comprehensive overview provided in this book is unique and will benefit undergraduate and graduate students in chemistry, materials science, and engineering, as well as researchers wanting a simple introduction to the world of molecular materials.
Author : Juan Carlos Cuevas,Elke Scheer
Publisher : World Scientific
Page : 724 pages
File Size : 42,8 Mb
Release : 2010
Category : Science
ISBN : 9789814282598
1. The birth of molecular electronics. 1.1. Why molecular electronics?. 1.2. A brief history of molecular electronics. 1.3. Scope and structure of the book -- 2. Fabrication of metallic atomic-size contacts. 2.1. Introduction. 2.2. Techniques involving the scanning electron microscope (STM). 2.3. Methods using atomic force microscopes (AFM). 2.4. Contacts between macroscopic wires. 2.5. Transmission electron microscope. 2.6. Mechanically controllable break-junctions (MCBJ). 2.7. Electromigration technique. 2.8. Electrochemical methods. 2.9. Recent developments. 2.10. Electronic transport measurements. 2.11. Exercises -- 3. Contacting single molecules: Experimental techniques. 3.1. Introduction. 3.2. Molecules for molecular electronics. 3.3. Deposition of molecules. 3.4. Contacting single molecules. 3.5. Contacting molecular ensembles. 3.6. Exercises -- 4. The scattering approach to phase-coherent transport in nanocontacts. 4.1. Introduction. 4.2. From mesoscopic conductors to atomic-scale junctions. 4.3. Conductance is transmission : heuristic derivation of the Landauer formula. 4.4. Penetration of a potential barrier : tunnel effect. 4.5. The scattering matrix. 4.6. Multichannel Landauer formula. 4.7. Shot noise. 4.8. Thermal transport and thermoelectric phenomena. 4.9. Limitations of the scattering approach. 4.10. Exercises -- 5. Introduction to Green's function techniques for systems in equilibrium. 5.1. The Schrodinger and Heisenberg pictures. 5.2. Green's functions of a noninteracting electron system. 5.3. Application to tight-binding Hamiltonians. 5.4. Green's functions in time domain. 5.5. Exercises -- 6. Green's functions and Feynman diagrams. 6.1. The interaction picture. 6.2. The time-evolution operator. 6.3. Perturbative expansion of causal Green's functions. 6.4. Wick's theorem. 6.5. Feynman diagrams. 6.6. Feynman diagrams in energy space. 6.7. Electronic self-energy and Dyson's equation. 6.8. Self-consistent diagrammatic theory : the Hartree-Fock approximation. 6.9. The Anderson model and the Kondo effect. 6.10. Final remarks. 6.11. Exercises -- 7. Nonequilibrium Green's functions formalism. 7.1. The Keldysh formalism. 7.2. Diagrammatic expansion in the Keldysh formalism. 7.3. Basic relations and equations in the Keldysh formalism. 7.4. Application of Keldysh formalism to simple transport problems. 7.5. Exercises -- 8. Formulas of the electrical current : exploiting the Keldysh formalism. 8.1. Elastic current : microscopic derivation of the Landauer formula. 8.2. Current through an interacting atomic-scale junction. 8.3. Time-dependent transport in nanoscale junctions. 8.4. Exercises -- 9. Electronic structure I: Tight-binding approach. 9.1. Basics of the tight-binding approach. 9.2. The extended Huckel method. 9.3. Matrix elements in solid state approaches. 9.4. Slater-Koster two-center approximation. 9.5. Some illustrative examples. 9.6. The NRL tight-binding method. 9.7. The tight-binding approach in molecular electronics. 9.8. Exercises -- 10. Electronic structure II : density functional theory. 10.1. Elementary quantum mechanics. 10.2. Early density functional theories. 10.3. The Hohenberg-Kohn theorems. 10.4. The Kohn-Sham approach. 10.5. The exchange-correlation functionals. 10.6. The basic machinery of DFT. 10.7. DFT performance. 10.8. DFT in molecular electronics. 10.9. Exercises -- 11. The conductance of a single atom. 11.1. Landauer approach to conductance: brief reminder. 11.2. Conductance of atomic-scale contacts. 11.3. Conductance histograms. 11.4. Determining the conduction channels. 11.5. The chemical nature of the conduction channels of oneatom contacts. 11.6. Some further issues. 11.7. Conductance fluctuations. 11.8. Atomic chains : parity oscillations in the conductance. 11.9. Concluding remarks. 11.10. Exercises -- 12. Spin-dependent transport in ferromagnetic atomic contacts. 12.1. Conductance of ferromagnetic atomic contacts. 12.2. Magnetoresistance of ferromagnetic atomic contacts. 12.3. Anisotropic magnetoresistance in atomic contacts. 12.4. Concluding remarks and open problems -- 13. Coherent transport through molecular junctions I : basic concepts. 13.1. Identifying the transport mechanism in single-molecule junctions. 13.2. Some lessons from the resonant tunneling model. 13.3. A two-level model. 13.4. Length dependence of the conductance. 13.5. Role of conjugation in [symbol]-electron systems. 13.6. Fano resonances. 13.7. Negative differential resistance. 13.8. Final remarks. 13.9. Exercises -- 14. Coherent transport through molecular junctions II : test-bed molecules. 14.1. Coherent transport through some test-bed molecules. 14.2. Metal-molecule contact : the role of anchoring groups. 14.3. Tuning chemically the conductance : the role of side-groups. 14.4. Controlled STM-based single-molecule experiments. 14.5. Conclusions and open problems -- 15. Single-molecule transistors : Coulomb blockade and Kondo physics. 15.1. Introduction. 15.2. Charging effects in transport through nanoscale devices. 15.3. Single-molecule three-terminal devices. 15.4. Coulomb blockade theory : constant interaction model. 15.5. Towards a theory of Coulomb blockade in molecular transistors. 15.6. Intermediate coupling : cotunneling and Kondo effect. 15.7. Single-molecule transistors : experimental results. 15.8. Exercises -- 16. Vibrationally-induced inelastic current I : experiment. 16.1. Introduction. 16.2. Inelastic electron tunneling spectroscopy (IETS). 16.3. Highly conductive junctions : point-contact spectroscopy (PCS). 16.4. Crossover between PCS and IETS. 16.5. Resonant inelastic electron tunneling spectroscopy (RIETS). 16.6. Summary of vibrational signatures -- 17. Vibrationally-induced inelastic current II : theory. 17.1. Weak electron-phonon coupling regime. 17.2. Intermediate electron-phonon coupling regime. 17.3. Strong electron-phonon coupling regime. 17.4. Concluding remarks and open problems. 17.5. Exercises -- 18. The hopping regime and transport through DNA molecules. 18.1. Signatures of the hopping regime. 18.2. Hopping transport in molecular junctions : experimental examples. 18.3. DNA-based molecular junctions. 18.4. Exercises -- 19. Beyond electrical conductance : shot noise and thermal transport. 19.1. Shot noise in atomic and molecular junctions. 19.2. Heating and heat conduction. 19.3. Thermoelectricity in molecular junctions -- 20. Optical properties of current-carrying molecular junctions. 20.1. Surface-enhanced Raman spectroscopy of molecular junctions. 20.2. Transport mechanisms in irradiated molecular junctions. 20.3. Theory of photon-assisted tunneling. 20.4. Experiments on radiation-induced transport in atomic and molecular junctions. 20.5. Resonant current amplification and other transport phenomena in ac driven molecular junctions. 20.6. Fluorescence from current-carrying molecular junctions. 20.7. Molecular optoelectronic devices. 20.8. Final remarks. 20.9. Exercises -- 21. What is missing in this book?
Author : John Wilfrid Linnett
Publisher : Unknown
Page : 167 pages
File Size : 47,5 Mb
Release : 1966
Category : Electrons
ISBN : OCLC:489668696
Author : Harry B. Gray
Publisher : University Science Books
Page : 244 pages
File Size : 54,9 Mb
Release : 1994-12-05
Category : Science
ISBN : 0935702350
This profusely illustrated book, by a world-renowned chemist and award-winning chemistry teacher, provides science students with an introduction to atomic and molecular structure and bonding. (This is a reprint of a book first published by Benjamin/Cummings, 1973.)
Author : Henry F. Schaefer
Publisher : Springer Science & Business Media
Page : 476 pages
File Size : 49,7 Mb
Release : 2013-06-29
Category : Science
ISBN : 9781475708875
These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . . . . . . . 1 1. 1. Slater Functions and the Hydrogen Moleeule 1 1. 2. Gaussian Functions and the Hydrogen Atom 3 2. Hartree-Fock Calculations on the First Row Atoms 5 2. 1. Valence States of the First Row Atoms 6 7 2. 2. Rydberg States of the First Row Atoms 9 2. 3.
Author : Phillip Manning
Publisher : Infobase Publishing
Page : 145 pages
File Size : 47,7 Mb
Release : 2008
Category : Atoms
ISBN : 9781438102344
Atoms, Molecules, and Compounds goes behind the scenes of day-to-day chemistry to explore the atoms that govern chemical processes. In clear language, this exciting book shows how the interactions between simple substances such as salt and water ar
Author : Martin Karplus,Richard Needham Porter
Publisher : Unknown
Page : 620 pages
File Size : 47,7 Mb
Release : 1970
Category : Electronic
ISBN : OCLC:252000142
Author : Paul L. A. Popelier
Publisher : Longman Publishing Group
Page : 0 pages
File Size : 46,8 Mb
Release : 2000
Category : Atoms
ISBN : 0582367980
Atoms in Molecules (AIM) is a powerful and novel theory for understanding chemistry, acting as a bridge between fundamental chemical concepts - such as the atom, the bond and molecular structure - and quantum mechanics. It is used increasingly in both theoretical and crystallographic research internationally, including its use in interpreting experimental charge densities. This book provides a balanced, consistent and didactic account of this exciting theory, explaining its potential impact and making it accessible to a wide audience.
Author : Robert G. Parr,Yang Weitao
Publisher : Oxford University Press
Page : 352 pages
File Size : 43,5 Mb
Release : 1989-04-13
Category : Science
ISBN : 9780199878727
This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.
Author : Raymond Daudel
Publisher : Elsevier
Page : 244 pages
File Size : 47,5 Mb
Release : 2017-10-11
Category : Science
ISBN : 9781483185743
Electronic Structure of Molecules: Diatomic Molecules, Small Molecules, Saturated Hydrocarbons, Conjugated Molecules, Molecules of Biochemical Interest focuses on the study of the electronic structure of molecules and associated molecular properties. The publication first offers information on hydrogen ion-molecule and various kinds of molecular orbitals and helium atom and hydrogen molecule. Discussions focus on the method of linear combinations of atomic orbitals, method of the united atoms, and remarks on helium atom and hydrogen molecule. The text then elaborates on diatomic molecules and general problems in the structure of molecules. The book touches on molecules containing only cores and simple bonds and small molecules formed by simple bonds and unshared electrons. Topics include alicyclic paraffins and the idea of a simple bond, methane, molecules of ammonia and water in their equilibrium configurations, and relationship between electronic structure and the position of nuclei. The publication is a valuable source material for readers interested in the electronic structure of molecules.
Author : Jean Maruani
Publisher : Springer Science & Business Media
Page : 466 pages
File Size : 49,6 Mb
Release : 1988-12-31
Category : Science
ISBN : 9027725985
Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences