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Introduction to Molecular Dynamics and Chemical Kinetics
The first text to cover both molecular reaction dynamics and chemical kinetics and their respective theories in a single source. After introductory material, the monograph goes on to cover interaction potentials; relative motion and the collisional approach for chemical reaction in the gas phase; partition functions; transition state theory; unimolecualr reactions; molecular reactions calculations; non-adiabatic transitions; surface kinetics; chemical reactions in solution; energetic changes in solvating a molecule; transition state theory in solution; models for diffusion; Kramers' theory of viscosity of solvent in chemical reactions; and electronic transfer reactions in solution. Also includes problems and solved exercises.
Metal Ions in Biological Systems
Part of a series devoted to understanding the relationship between the chemistry of metals and life processes, the present volume offers contributions by 25 scientists covering mechanistic considerations, electron tunneling pathways, photoinduced and stereoselective effects in electron transfer reac
Atoms, Molecules and Clusters in Electric Fields
With the central importance of electric polarizability and hyperpolarizability for a wide spectrum of activities, this book charts the trends in the accurate theoretical determination of these properties in specialized fields. The contributions include reviews and original papers that extend from methodology to applications in specific areas of primary importance such as cluster science and organic synthesis of molecules with specific properties.
Advances in Quantum Chemistry
Approx.500 pagesApprox.500 pages
Metal Ions in Biological Systems
Volume 32 covers metal ion bonding to phosphate, sugar and nucleobase residues; the ambidentate as well as the stacking properties of nucleotides; kinetic aspects as well as properties of nucleobase and nucleotide analogs; and the oligonucleotides and nucleic acids. It examines electron transfer reactions over a large number of base repairs in DNA, the role of metal ions in ribozymes, ternary metal-nucleic acid base-protein complexes, metal responsive gene regulation, and the structure-activity relationships of anticancer drugs and their action on DNA, including cisplatin and the role of proteins.
Non-Linear Optical Properties of Matter
This book assembles both theory and application in this field, to interest experimentalists and theoreticians alike. Part 1 is concerned with the theory and computing of non-linear optical (NLO) properties while Part 2 reviews the latest developments in experimentation. This book will be invaluable to researchers and students in academia and industry, particularlrly to anyone involved in materials science, theoretical and computational chemistry, chemical physics, and molecular physics.
Proceedings of European Organic Chemistry Congress 2018
March 01-03, 2018 London,UK. Key Topics: Elementary Concepts of Organic Chemistry, Inorganic & Organometallic Compounds, BioOrganic Chemistry, Carbohydrates and Phenols, StereoChemistry, Analytical techniques in Organic Chemistry, Carboxylic acids and its derivatives, Chemical Bonding, Cheminformatics, Green and Environmental Chemistry, Polymers and Monomers, Bio-chemistry and agricultural chemistry, Catalysis of Organic Reactions, Physical Organic Chemistry, Natural Product Chemistry, Flow Chemistry, Organic Photochemistry, Medicinal Chemistry, Electro Organic Chemistry
Atomic and Molecular Nonlinear Optics: Theory, Experiment and Computation
The papers collected in this volume in honor of the late Stanisław Kielich cover an impressive range of modern subjects in molecular science. These subjects include, among others, the nonlinear optics of molecules, new approaches to the electronic structure of large molecules, the properties of carbon nanotubes, fluorescence polarization spectroscopy, computational studies of systems of fundamental interest to collision-induced spectroscopy, the simulation of fluids, NLO materials, chemical bonding in complex molecules, the NLO properties of functionalized DNA and the magnetic properties of molecular assemblies. Written by eminent specialists, the papers should offer valuable guidance to a wide community of graduate students and researchers.
Advanced Molecular Dynamics and Chemical Kinetics
A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions both as a professional reference and a high-level text for PhD and postdoctoral researchers. Advanced Molecular Dynamics and Chemical Kinetics offers exceptional, in-depth coverage and includes a complete discussion of the theoretical as well as mathematical presentation of techniques. It features relevant exercises as well as comprehensive coverage of: * Second Quantization * Semiclassical Theor...
Advances in Quantum Chemistry
Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics,chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
