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Molecular properties and reactions are controlled by electrons in the molecules. Electrons had been thought to be particles. Quantum mechanics showed that el- trons have properties not only as particles but also as waves. A chemical theory is required to think about the wave properties of electrons in molecules. These prop- ties are well represented by orbitals, which contain the amplitude and phase ch- acteristics of waves. This volume is a result of our attempt to establish a theory of chemistry in terms of orbitals — A Chemical Orbital Theory. The amplitude of orbitals represents a spatial extension of orbitals. An orbital strongly interacts with others at the position and in the direction of great extension. Orbital amplitude controls the reactivities and selectivities of chemical reactions. In the first paper on frontier orbital theory by Fukui the amplitude appeared in the form of its square, i.e., the density of frontier electrons in 1952 (Scheme 1). Orbital mixing rules were developed by Libit and Hoffmann and by Inagaki and Fukui in 1974 and Hirano and Imamura in 1975 to predict magnitudes of orbital amplitudes (Scheme 2) for understanding and designing stereoselective reactions.

Chemistry. --- Theoretical and Computational Chemistry. --- Atomic/Molecular Structure and Spectra. --- Organic Chemistry. --- Chemistry, Organic. --- Chimie --- Chimie organique --- Molecular orbitals --- Molecular orbitals. --- Molecular structure. --- Organic chemistry --- Chemistry --- Physical sciences --- Chemistry, Physical and theoretical. --- Atomic structure  . --- Molecular structure . --- Organic chemistry. --- Structure, Molecular --- Chemical structure --- Structural bioinformatics --- Structure, Atomic --- Atomic theory --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry

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Concepts in Projection-Reconstruction , by Ray Freeman and Ēriks Kupce.- Automated Projection Spectroscopy and Its Applications , by Sebastian Hiller and Gerhard Wider.- Data Sampling in Multidimensional NMR: Fundamentals and Strategies , by Mark W. Maciejewski, Mehdi Mobli, Adam D. Schuyler, Alan S. Stern and Jeffrey C. Hoch.- Generalized Fourier Transform for Non-Uniform Sampled Data , by Krzysztof Kazimierczuk, Maria Misiak, Jan Stanek, Anna Zawadzka-Kazimierczuk and Wiktor Koźminski.- Applications of Non-Uniform Sampling and Processing , by Sven G. Hyberts, Haribabu Arthanari and Gerhard Wagner.-

Optics. Quantum optics --- Physicochemistry --- Theoretical spectroscopy. Spectroscopic techniques --- Organic chemistry --- organische chemie --- spectroscopie --- microscopie --- fysicochemie --- spectrometrie

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The aim of this book is to survey a number of chemical compounds that chemists, both theoretical and experimental, find fascinating. Some of these compounds, like planar carbon species or oxirene, offer no obvious practical applications; nitrogen oligomers and polymers, in contrast, have been touted as possible high-energy-density materials. What unites this otherwise eclectic collection is that these substances are unknown and offer a challenge to theory and to synthesis. It is envisioned that this collection of idiosynchractic molecules will appeal to chemists who find the study of chemical oddities interesting and, on occasion, even rewarding. "A great romp through imagined molecules, a challenge to the talents of synthetic chemists! Errol Lewars leads us expertly through a wonderland of the chemical imagination, fascinating molecular structures that do not (yet) exist!" Prof. Roald Hoffmann - Nobel Laureate, Chem. 1981- Cornell University, New York, USA "This book is an educational and enjoyable read, devoted to species on the fringes of chemical, calculation and conceptual plausibility" Prof. Joel Liebman, University of Maryland, Baltimore County, USA.

Chemistry. --- Organic Chemistry. --- Simulation and Modeling. --- Theoretical and Computational Chemistry. --- Chemistry, Organic. --- Computer simulation. --- Chimie --- Chimie organique --- Simulation par ordinateur --- Molecules --Models --Computer simulation. --- Molecules --- Physical & Theoretical Chemistry --- Biochemistry --- Chemistry --- Physical Sciences & Mathematics --- Models --- Computer simulation --- Chemical models. --- Models, Chemical --- Organic chemistry. --- Chemistry, Physical and theoretical. --- Physical sciences --- Computer modeling --- Computer models --- Modeling, Computer --- Models, Computer --- Simulation, Computer --- Electromechanical analogies --- Mathematical models --- Simulation methods --- Model-integrated computing --- Organic chemistry --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry

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This book helps chemical and other engineers develop their skills for solving mathematical models using Maple. These mathematical models can consist of systems of algebraic, ordinary, and partial differential equations. Maple’s ‘dsolve’ is used to obtain solutions for many of these models. Maple worksheets are provided on the Springer website for use by readers to solve the example problems in this book. Just click on Electronic Supplementary Material and insert the ISBN.

Chemistry. --- Theoretical and Computational Chemistry. --- Software Engineering/Programming and Operating Systems. --- Applications of Mathematics. --- Computational Intelligence. --- Software engineering. --- Mathematics. --- Engineering. --- Chimie --- Génie logiciel --- Mathématiques --- Ingénierie --- Differential equations, Partial --- Initial value problems --- Data processing. --- Chemistry, Physical and theoretical. --- Applied mathematics. --- Engineering mathematics. --- Computational intelligence. --- Intelligence, Computational --- Artificial intelligence --- Soft computing --- Engineering --- Engineering analysis --- Mathematical analysis --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Computer software engineering --- Mathematics --- Chemical engineering

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MODERN ASPECTS OF ELECTROCHEMISTRY No. 40 Edited by Ralph E. White University of South Carolina, Columbia, SC Topics in Number 40 include: Polymer Electrolyte Membrane (PEM) fuel cell bipolar plates, discussion of the difficulties associated with confronting bipolar plate development The use of graphs in electrochemical reaction networks with focus on analysis of variance (ANOVA) observation methods Nano-materials in lithium ion battery electrode design, presentation of a plasma-assisted method to create a carbon replica of an alumina template membrane Direct methanol fuel cells, extensive discussion and review of various types of fuel cells and advances made in the performance of DMFC’s since their inception Direct simulation of polymer electrolyte fuel cell catalyst layers, presentation of a systematic development of the direct numerical simulation From reviews of previous volumes: "This long-standing series continues its tradition of offering high quality reviews of established and emerging subject areas, together with the less common aspects of electrochemical science … Deserves a place in electrochemistry libraries and should prove useful to electrochemists and related workers." -Chemistry and Industry "Continues the valuable service that has been rendered by the Modern Aspects series." - Journal of Electroanalytical Chemistry "Will definitely be of much use to researchers in the field of electrochemistry… The editors of this well-produced volume deserve all appreciation for maintaining the excellent standard of the series." - Bulletin of Electrochemistry "Extremely well-referenced and very readable … Maintains the overall high standards of the series." - Journal of the American Chemical Society.

Chemistry. --- Electrochemistry. --- Physical Chemistry. --- Materials Science, general. --- Energy Technology. --- Catalysis. --- Physical organic chemistry --- Electric engineering. --- Materials. --- Chimie --- Chimie organique physique --- Catalyse --- Matériaux --- Chemistry --- Physical Sciences & Mathematics --- Physical & Theoretical Chemistry --- Physical chemistry. --- Electric power production. --- Materials science. --- Chemistry, Physical and theoretical --- Chemistry, Physical organic. --- Energy Systems. --- Activation (Chemistry) --- Surface chemistry --- Engineering --- Engineering materials --- Industrial materials --- Engineering design --- Manufacturing processes --- Chemistry, Physical organic --- Chemistry, Organic --- Physical sciences --- Materials --- Energy systems. --- Material science --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry