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Geometrical derivatives of energy surfaces and molecular properties
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ISBN: 9027721769 9401085374 9400945841 9789027721761 Year: 1986 Volume: 166 Publisher: Dordrecht: Reidel,

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Potential energy surfaces and dynamics calculations : for chemical reactions and molecular energy transfer
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ISBN: 0306407558 1475717377 1475717350 Year: 1981 Publisher: New York, NY : Plenum Press,


Book
Density-functional methods for excited states
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ISSN: 03401022 ISBN: 3319220802 3319220810 9783319220802 Year: 2016 Volume: 368 Publisher: Cham: Springer,

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Abstract

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Keywords

Quantum Theory --- Surface Properties --- Electrons --- Spectrum Analysis --- Chemistry Techniques, Analytical --- Nuclear Physics --- Elementary Particles --- Physicochemical Phenomena --- Electromagnetic Phenomena --- Physical Phenomena --- Investigative Techniques --- Physics --- Chemical Phenomena --- Phenomena and Processes --- Analytical, Diagnostic and Therapeutic Techniques and Equipment --- Natural Science Disciplines --- Disciplines and Occupations --- Physical & Theoretical Chemistry --- Chemistry --- Physical Sciences & Mathematics --- Fonctionnelles densité --- Chimie des états excités --- Chimie quantique --- Natural Sciences --- Physical Sciences --- Discipline, Natural Science --- Disciplines, Natural Science --- Natural Science --- Natural Science Discipline --- Physical Science --- Science, Natural --- Science, Physical --- Sciences, Natural --- Sciences, Physical --- Chemical Phenomenon --- Chemical Process --- Physical Chemistry Phenomena --- Physical Chemistry Process --- Physicochemical Phenomenon --- Physicochemical Process --- Chemical Concepts --- Chemical Processes --- Physical Chemistry Concepts --- Physical Chemistry Processes --- Physicochemical Concepts --- Physicochemical Processes --- Chemical Concept --- Chemistry Process, Physical --- Chemistry Processes, Physical --- Concept, Chemical --- Concept, Physical Chemistry --- Concept, Physicochemical --- Concepts, Chemical --- Concepts, Physical Chemistry --- Concepts, Physicochemical --- Phenomena, Chemical --- Phenomena, Physical Chemistry --- Phenomena, Physicochemical --- Phenomenon, Chemical --- Phenomenon, Physicochemical --- Physical Chemistry Concept --- Physicochemical Concept --- Process, Chemical --- Process, Physical Chemistry --- Process, Physicochemical --- Processes, Chemical --- Processes, Physical Chemistry --- Processes, Physicochemical --- Physic --- Investigative Technics --- Investigative Technic --- Investigative Technique --- Technic, Investigative --- Technics, Investigative --- Technique, Investigative --- Techniques, Investigative --- Physical Phenomenon --- Physical Process --- Physical Concepts --- Physical Processes --- Concept, Physical --- Concepts, Physical --- Phenomena, Physical --- Phenomenon, Physical --- Physical Concept --- Process, Physical --- Processes, Physical --- Electrical Phenomena --- Electrical Phenomenon --- Electromagnetic Phenomenon --- Electromagnetics --- Electrical Concepts --- Electromagnetic Concepts --- Concept, Electrical --- Concept, Electromagnetic --- Concepts, Electrical --- Concepts, Electromagnetic --- Electrical Concept --- Electromagnetic Concept --- Electromagnetic Phenomenas --- Phenomena, Electrical --- Phenomena, Electromagnetic --- Phenomenon, Electrical --- Phenomenon, Electromagnetic --- Nuclear Physic --- Physic, Nuclear --- Physics, Nuclear --- Baryons --- Fundamental Particles --- Baryon --- Elementary Particle --- Fundamental Particle --- Particle, Elementary --- Particle, Fundamental --- Particles, Elementary --- Particles, Fundamental --- Analytical Chemistry Methods --- Analytical Chemistry Techniques --- Analytical Chemistry Method --- Analytical Chemistry Technique --- Chemistry Method, Analytical --- Chemistry Methods, Analytical --- Chemistry Technique, Analytical --- Method, Analytical Chemistry --- Methods, Analytical Chemistry --- Technique, Analytical Chemistry --- Techniques, Analytical Chemistry --- Analysis, Spectrum --- Spectrometry --- Spectroscopy --- Fast Electrons --- Negatrons --- Positrons --- Electron --- Electron, Fast --- Electrons, Fast --- Fast Electron --- Negatron --- Positron --- Properties, Surface --- Property, Surface --- Surface Property --- Quantum Theories --- Theories, Quantum --- Theory, Quantum --- Chemistry. --- Chemistry, Physical organic. --- Spectroscopy. --- Theoretical and Computational Chemistry. --- Physical Chemistry. --- Spectroscopy/Spectrometry. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Spectra --- Spectrochemical analysis --- Spectrochemistry --- Chemistry, Analytic --- Interferometry --- Optics --- Radiation --- Wave-motion, Theory of --- Absorption spectra --- Light --- Spectroscope --- Physical sciences --- Qualitative --- Spectrum analysis. --- Physical organic chemistry. --- Chemistry, Physical and theoretical. --- Physical chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Analytical chemistry

Kinetics of homogeneous multistep reactions
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ISBN: 0444416315 9780444826060 0444826068 9780080535265 0080535267 9780444425508 0444425500 9780080868202 0080868207 128177863X 9781281778635 9780444873644 0444873643 9780080868240 008086824X 1281984949 9781281984944 9786611984946 6611984941 9780444423542 0444423540 9780080868196 0080868193 1281984477 9781281984470 9780444873637 0444873635 9780444429995 0444429999 9780080868233 0080868231 1281984582 9781281984586 9786611984588 6611984585 9780444987952 0444987959 9780080868257 0080868258 9786611034283 1281034282 9786611777296 1281777293 9786611778637 9786611984472 9780444416315 Year: 2001 Volume: 31 Publisher: Amsterdam ; London : Elsevier,

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This book addresses primarily the chemist and engineer in industrial research and process development, where competitive pressures put a premium on scale-up by large factors to cut development time. To be safe, such scale-up should be based on ""fundamental"" kinetics, that is, mathematics that reflect the elementary steps of which the reactions consist. The book forges fundamental kinetics into a practical tool by presenting new effective methods for elucidation of mechanisms and reduction of mathematical complexity without unacceptable sacrifice in accuracy.

Keywords

Chemical kinetics. --- Decomposition (Chemistry) --- Chemistry, Inorganic. --- Organometallic compounds. --- Cinétique chimique. --- Chimie inorganique. --- Décomposition (chimie) --- Composés organométalliques. --- Excited state chemistry. --- Chimie des états excités. --- Esters. --- Hydrolysis. --- Hydrolyse. --- Aromatic compounds. --- Inorganic compounds. --- Nonmetals. --- Chemical reactions. --- Composés aromatiques. --- Réactions chimiques. --- Composés inorganiques. --- Non-métaux. --- Complex compounds. --- Salts --- Composés complexes. --- Sels --- Reactivity. --- Réactivité (chimie) --- Organic compounds. --- Isomerization. --- Composés organiques. --- Isomérisation. --- Electrodes --- Chemical reactions --- Electrochemistry --- Addition polymerization --- Chemical kinetics --- 541.135.5 --- chemische reactie --- elektrode --- kinetica --- 541.135.5 Electrodes and diaphragms, e.g. --- Electrodes and diaphragms, e.g. --- Addition polymerization. --- Chemical reaction, Kinetics of --- Chemical reaction, Rate of --- Chemical reaction, Velocity of --- Chemical reaction rate --- Chemical reaction velocity --- Kinetics, Chemical --- Rate of chemical reaction --- Reaction rate (Chemistry) --- Velocity of chemical reaction --- Chemical affinity --- Reactivity (Chemistry) --- Anionic polymerization --- Cationic polymerization --- Chain addition polymerization --- Chain-growth polymerization --- Free-radical polymerization --- Ionic polymerization --- Polymerization --- Reactions, Chemical --- Chemical processes --- Electric resistors --- Chemistry, Physical and theoretical --- 530.145 --- 530.145 Quantum theory --- Quantum theory --- 678.02:66.095.2 --- 678.02:66.095.2 Manufacturing processes and operations-:-Chemical technology. Chemical and related industries--?.095.2 --- Manufacturing processes and operations-:-Chemical technology. Chemical and related industries--?.095.2 --- 541.183 --- Surface chemistry --- Catalysis --- Corrosion and anti-corrosives --- Solid-liquid interfaces --- Liquid-solid interfaces --- Interfaces (Physical sciences) --- Anti-corrosive paint --- Atmospheric corrosion --- Metal corrosion --- Metals --- Rust --- Rustless coatings --- Chemical inhibitors --- Chemistry, Technical --- Fouling --- Materials --- Weathering --- Paint --- Protective coatings --- Waterproofing --- Activation (Chemistry) --- Chemistry, Surface --- Interfaces, Chemistry of --- Surface phenomena --- Surfaces (Chemistry) --- Capillarity --- Surface energy --- Surface tension --- Surfaces (Physics) --- 541.183 Contact systems. Adsorption. Surface chemistry --- Contact systems. Adsorption. Surface chemistry --- Corrosion --- Deterioration --- Surfaces --- Chemical reaction [Rate of ] --- Diffusion. --- Gases --- Liquids --- Physics --- Separation (Technology) --- Solution (Chemistry) --- Solutions, Solid --- Matter --- Packed towers --- Semiconductor doping --- Diffusion --- Properties --- Electrodes. --- Electrochemistry. --- 541.124 --- 539.219.3 --- Charge exchange. --- Tunneling (Physics) --- Penetration probability --- Quantum mechanical tunneling --- Tunnel effect --- Electric conductivity --- Solids --- Electron transfer --- Exchange, Charge --- Transfer, Electron --- Charge transfer --- Collisions (Nuclear physics) --- Chemical reaction, Conditions and laws of --- 539.219.3 Diffusion. Autodiffusion --- Diffusion. Autodiffusion --- 541.124 Chemical dynamics in general. Reaction mechanism in general --- 541.124 Limits of reactions --- Chemical dynamics in general. Reaction mechanism in general --- Limits of reactions --- Electrochemical analysis. --- Voltammetry. --- Voltametry --- Electrochemical analysis --- Analysis, Electrochemical --- Analysis, Electrolytic --- Electroanalysis --- Electrolytic analysis --- Analytical chemistry --- Quantitative

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