Search results

433 results

View results as:
Number of results to display per page
Book
1 online resource (vii, 264 pages) : illustrations (some color).
  • Emerging Areas in Atmospheric Photochemistry
  • New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory
  • Volatility and Aging of Atmospheric Organic Aerosol
  • Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization
  • Surface-Active Organics in Atmospheric Aerosols.
  • Emerging Areas in Atmospheric Photochemistry
  • New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory
  • Volatility and Aging of Atmospheric Organic Aerosol
  • Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization
  • Surface-Active Organics in Atmospheric Aerosols.
Book
1 online resource (vii, 57 pages) : illustrations (some color).
Book
1 online resource (xvii, 377 pages) : illustrations
  • Some Basic Remarks
  • Part I Deterministic Methods: Numerical Differentiation
  • Numerical Integration
  • The KEPLER Problem
  • Ordinary Differential Equations : Initial Value Problems
  • The Double Pendulum
  • Molecular Dynamics
  • Numerics of Ordinary Differential Equations - Boundary Value Problems
  • The One-Dimensional Stationary Heat Equation
  • The One-Dimensional Stationary SCHR?DINGER Equation
  • Numerics of Partial Differential Equations
  • Part II Stochastic Methods
  • Pseudo Random Number Generators
  • Random Sampling Methods
  • A Brief Introduction to Monte-Carlo Methods
  • The ISING Model
  • Some Basics of Stochastic Processes
  • The Random Walk and Diffusion Theory
  • MARKOV-Chain Monte Carlo and the POTTS Model
  • Data Analysis
  • Stochastic Optimization.
With the development of ever more powerful computers a new branch of physics and engineering evolved over the last few decades: Computer Simulation or Computational Physics. It serves two main purposes: - Solution of complex mathematical problems such as, differential equations, minimization/optimization, or high-dimensional sums/integrals. - Direct simulation of physical processes, as for instance, molecular dynamics or Monte-Carlo simulation of physical/chemical/technical processes. Consequently, the book is divided into two main parts: Deterministic methods and stochastic methods. Based on concrete problems, the first part discusses numerical differentiation and integration, and the treatment of ordinary differential equations. This is augmented by notes on the numerics of partial differential equations. The second part discusses the generation of random numbers, summarizes the basics of stochastics which is then followed by the introduction of various Monte-Carlo (MC) methods. Specific emphasis is on MARKOV chain MC algorithms. All this is again augmented by numerous applications from physics. The final two chapters on Data Analysis and Stochastic Optimization share the two main topics as a common denominator. The book offers a number of appendices to provide the reader with more detailed information on various topics discussed in the main part. Nevertheless, the reader should be familiar with the most important concepts of statistics and probability theory albeit two appendices have been dedicated to provide a rudimentary discussion.
  • Some Basic Remarks
  • Part I Deterministic Methods: Numerical Differentiation
  • Numerical Integration
  • The KEPLER Problem
  • Ordinary Differential Equations : Initial Value Problems
  • The Double Pendulum
  • Molecular Dynamics
  • Numerics of Ordinary Differential Equations - Boundary Value Problems
  • The One-Dimensional Stationary Heat Equation
  • The One-Dimensional Stationary SCHR?DINGER Equation
  • Numerics of Partial Differential Equations
  • Part II Stochastic Methods
  • Pseudo Random Number Generators
  • Random Sampling Methods
  • A Brief Introduction to Monte-Carlo Methods
  • The ISING Model
  • Some Basics of Stochastic Processes
  • The Random Walk and Diffusion Theory
  • MARKOV-Chain Monte Carlo and the POTTS Model
  • Data Analysis
  • Stochastic Optimization.
With the development of ever more powerful computers a new branch of physics and engineering evolved over the last few decades: Computer Simulation or Computational Physics. It serves two main purposes: - Solution of complex mathematical problems such as, differential equations, minimization/optimization, or high-dimensional sums/integrals. - Direct simulation of physical processes, as for instance, molecular dynamics or Monte-Carlo simulation of physical/chemical/technical processes. Consequently, the book is divided into two main parts: Deterministic methods and stochastic methods. Based on concrete problems, the first part discusses numerical differentiation and integration, and the treatment of ordinary differential equations. This is augmented by notes on the numerics of partial differential equations. The second part discusses the generation of random numbers, summarizes the basics of stochastics which is then followed by the introduction of various Monte-Carlo (MC) methods. Specific emphasis is on MARKOV chain MC algorithms. All this is again augmented by numerous applications from physics. The final two chapters on Data Analysis and Stochastic Optimization share the two main topics as a common denominator. The book offers a number of appendices to provide the reader with more detailed information on various topics discussed in the main part. Nevertheless, the reader should be familiar with the most important concepts of statistics and probability theory albeit two appendices have been dedicated to provide a rudimentary discussion.
Book
1 online resource : text file, PDF
  • 1. The selective alkylarens oxidations with dioxygen in the presence of catalytical systems / L.I. Matienko, L.A. Mosolova, A. D'Amore, and G.E. Zaikov
  • 2. Kinetics and mechanism toluene and cumene oxidation by dioxygen with nickel (II) complexes / L.I. Matienko, L.A. Mosolova, A. D'Amore, and G.E. Zaikov
  • 3. Polymer-based solar cells / A. D'Amore, V. Mottaghitalab, and A.K. Haghi
  • 4. Formation of metal organic frameworks / Alberto D'Amore and A.K. Haghi
  • 5. Quantum and wave characteristics of spatial-energy interactions / G.?. Korablev and G.?. Zaikov
  • 6. Fractal analysis in polycondensation process / G.V. Kozlov, G.B. Shustov, G.E. Zaikov, E.M. Pearce, and G. Kirshenbaum
  • 7. Selection of medical preparations for treating lower parts of the urinary system / Z.G. Kozlova
  • 8. Improvement of the functional properties of lysozyme by interaction with 5-methylresorcinol / E.I. Martirosova and I.G. Plashchina
  • 9. Introductions in culture in vitro rare bulbous plants of the Sochi Black Sea Coast (Scilla, Muscari, Galanthus) / A.O. Matskiv, A.A. Rybalko, and A.E. Rybalko
  • 10. Effect of cobalt content on the corrosion resistance in acid, alkaline and ringer solution of Fe-Co-Zr-Mo-W-B metallic glasses / D. Klimecka-Tatar, G. Pawlowska, R. Orlicki, and G.E. Zaikov
  • 11. The methods of the study the processes of the issue to optical information biological object / U.?. Pleshkova and A.M. Likhter
  • 12. The effect of free radical oxidation on structure and function of plasma fibrin-stabilizing factor / M.A. Rosenfeld, A.V. Bychkova, A.N. Shegolihin, V.B. Leonova, M.I. Biryukova, E.A. Kostanova, S.D. Razumovskii, and M.L. Konstantinova
  • 13. Functioning similarity of physicochemical regulatory system of the lipid peroxidation on the membrane and organ levels / L.N. Shishkina, M.A. Klimovich, and M.V. Kozlov
  • 14. Investigation of tensile strength of three new soft silicone elastomers and comparison with results of previously tested material / W. Wieckiewicz, R. Orlicki, and G.E. Zaikov
  • 15. Analysis of the influence of the earth's electromagnetic radiation on water by electrochemical method / A.A. Artamonov, V.M. Misin, and V.V. Tsetlin
  • 16. Formation of glycoside bonds mechanism of reactions / J.A. Djamanbaev, A. D'Amore, and G.E. Zaikov
  • 17. New additives for burning of the fuels / E. Gigineishvili, L. Asatiani, N. Lekishvili, A. D'Amore, and G.E. Zaikov
  • 18. The changes of dynamic lipid structure of membranes upon the effect of oxazoles in vitro / E.L. Maltseva, V.V. Belov, and N.P. Palmina
  • 19. Magnetic nanoparticles / A.V. Bychkova, M.A. Rosenfeld, V.B. Leonova, O.N. Sorokina, and A.L. Kovarski
  • 20. Heat resistance of copolymers of vinyl acetate as a component of biodegradable materials / E.V. Belova, P.V. Pantyukhov, and V.S. Litvishko
  • 21. Degradation and stabilization of polyvinylchloride, kinetics and mechanism / G.E. Zaikov, M.I. Artsis, L.A. Zimina, and A. D'Amore
  • 22. The influence of UV and visible laser radiation on layered organic-inorganic nanocomposites zinc and copper / V.T. Karpukhin, M.M. Malikov, T.I. Borodina, G.E. Valyano, O.A. Gololobova, and D.A. Strikanov
  • 23. Modeling and optimization of the design parameters scrubber / R.R. Usmanova, and G.E. Zaikov
  • 24. Evaluation of biocompatibility and antibacterial properties of polysulphone/nanosilver composites / M. Ziabka, A. Mertas, W. Krl?, J. Ch?opek, and R. Orlicki
  • 25. The technique of harvesting the cancellous bone from proximal tibia for different applications in maxillofacial surgery / P. Malara
  • 26. Experimental adhesive biomaterial in the development of restorative concept towards the biomimicric dentistry / T. Kupka, R. Orlicki, and G.E. Zaikov
  • 27. Microstructure of dental casting alloy Ni-Cr-Mo (rodent) / A. Korneva, I. Orlicka, K. Sztwiertnia, and G.E. Zaikov
  • 28. Developing the scientific basis for the rational designing devices gas purification / R.R. Usmanova and G.E. Zaikov
  • 29. Synthesis of bioinorganic polymers / V. Kablov, D. Kondrutsky, A. D'Amore, and O. Zineeva
  • 30. Generation of stable macroradicals in lignin on exposure to nitrogen dioxide / E. Ya. Davydov, I.S. Gaponova, A. D'Amore, S.M. Lomakin, G.B. Pariiskii, T.V. Pokholok, and G.E. Zaikov.
  • 1. The selective alkylarens oxidations with dioxygen in the presence of catalytical systems / L.I. Matienko, L.A. Mosolova, A. D'Amore, and G.E. Zaikov
  • 2. Kinetics and mechanism toluene and cumene oxidation by dioxygen with nickel (II) complexes / L.I. Matienko, L.A. Mosolova, A. D'Amore, and G.E. Zaikov
  • 3. Polymer-based solar cells / A. D'Amore, V. Mottaghitalab, and A.K. Haghi
  • 4. Formation of metal organic frameworks / Alberto D'Amore and A.K. Haghi
  • 5. Quantum and wave characteristics of spatial-energy interactions / G.?. Korablev and G.?. Zaikov
  • 6. Fractal analysis in polycondensation process / G.V. Kozlov, G.B. Shustov, G.E. Zaikov, E.M. Pearce, and G. Kirshenbaum
  • 7. Selection of medical preparations for treating lower parts of the urinary system / Z.G. Kozlova
  • 8. Improvement of the functional properties of lysozyme by interaction with 5-methylresorcinol / E.I. Martirosova and I.G. Plashchina
  • 9. Introductions in culture in vitro rare bulbous plants of the Sochi Black Sea Coast (Scilla, Muscari, Galanthus) / A.O. Matskiv, A.A. Rybalko, and A.E. Rybalko
  • 10. Effect of cobalt content on the corrosion resistance in acid, alkaline and ringer solution of Fe-Co-Zr-Mo-W-B metallic glasses / D. Klimecka-Tatar, G. Pawlowska, R. Orlicki, and G.E. Zaikov
  • 11. The methods of the study the processes of the issue to optical information biological object / U.?. Pleshkova and A.M. Likhter
  • 12. The effect of free radical oxidation on structure and function of plasma fibrin-stabilizing factor / M.A. Rosenfeld, A.V. Bychkova, A.N. Shegolihin, V.B. Leonova, M.I. Biryukova, E.A. Kostanova, S.D. Razumovskii, and M.L. Konstantinova
  • 13. Functioning similarity of physicochemical regulatory system of the lipid peroxidation on the membrane and organ levels / L.N. Shishkina, M.A. Klimovich, and M.V. Kozlov
  • 14. Investigation of tensile strength of three new soft silicone elastomers and comparison with results of previously tested material / W. Wieckiewicz, R. Orlicki, and G.E. Zaikov
  • 15. Analysis of the influence of the earth's electromagnetic radiation on water by electrochemical method / A.A. Artamonov, V.M. Misin, and V.V. Tsetlin
  • 16. Formation of glycoside bonds mechanism of reactions / J.A. Djamanbaev, A. D'Amore, and G.E. Zaikov
  • 17. New additives for burning of the fuels / E. Gigineishvili, L. Asatiani, N. Lekishvili, A. D'Amore, and G.E. Zaikov
  • 18. The changes of dynamic lipid structure of membranes upon the effect of oxazoles in vitro / E.L. Maltseva, V.V. Belov, and N.P. Palmina
  • 19. Magnetic nanoparticles / A.V. Bychkova, M.A. Rosenfeld, V.B. Leonova, O.N. Sorokina, and A.L. Kovarski
  • 20. Heat resistance of copolymers of vinyl acetate as a component of biodegradable materials / E.V. Belova, P.V. Pantyukhov, and V.S. Litvishko
  • 21. Degradation and stabilization of polyvinylchloride, kinetics and mechanism / G.E. Zaikov, M.I. Artsis, L.A. Zimina, and A. D'Amore
  • 22. The influence of UV and visible laser radiation on layered organic-inorganic nanocomposites zinc and copper / V.T. Karpukhin, M.M. Malikov, T.I. Borodina, G.E. Valyano, O.A. Gololobova, and D.A. Strikanov
  • 23. Modeling and optimization of the design parameters scrubber / R.R. Usmanova, and G.E. Zaikov
  • 24. Evaluation of biocompatibility and antibacterial properties of polysulphone/nanosilver composites / M. Ziabka, A. Mertas, W. Krl?, J. Ch?opek, and R. Orlicki
  • 25. The technique of harvesting the cancellous bone from proximal tibia for different applications in maxillofacial surgery / P. Malara
  • 26. Experimental adhesive biomaterial in the development of restorative concept towards the biomimicric dentistry / T. Kupka, R. Orlicki, and G.E. Zaikov
  • 27. Microstructure of dental casting alloy Ni-Cr-Mo (rodent) / A. Korneva, I. Orlicka, K. Sztwiertnia, and G.E. Zaikov
  • 28. Developing the scientific basis for the rational designing devices gas purification / R.R. Usmanova and G.E. Zaikov
  • 29. Synthesis of bioinorganic polymers / V. Kablov, D. Kondrutsky, A. D'Amore, and O. Zineeva
  • 30. Generation of stable macroradicals in lignin on exposure to nitrogen dioxide / E. Ya. Davydov, I.S. Gaponova, A. D'Amore, S.M. Lomakin, G.B. Pariiskii, T.V. Pokholok, and G.E. Zaikov.
Book
xviii, 335 pages : illustrations ; 24 cm
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.3 .C63 2014 Unknown
Book
1 online resource : text file, PDF
  • chapter 1. Introduction
  • chapter 2. Absolute pKa calculations
  • chapter 3. Relative pKa calculations
  • chapter 4. Quantitative structure-acidity methods
  • chapter 5. Oxyacids and related compounds
  • chapter 6. Nitrogen acids
  • chapter 7. Additional types of acids
  • chapter 8. Acidities in nonaqueous solvents
  • chapter 9. Additional factors influencing acidity and basicity
  • chapter 10. Conclusions.
"The book describes how one can calculate the acidities and basicities of chemicals (pKa is the dissociation constant). Many drugs, industrial chemicals, biochemicals and pollutants dissociate to form new species under different conditions. The nature of the species present has a profound effect on how the species act, and it is important to be able to estimate which species will be present under different conditions. No other book summarizes how one can estimate the natures of the species present using modern theoretical methods. This book fills that need"-- Provided by publisher.
  • chapter 1. Introduction
  • chapter 2. Absolute pKa calculations
  • chapter 3. Relative pKa calculations
  • chapter 4. Quantitative structure-acidity methods
  • chapter 5. Oxyacids and related compounds
  • chapter 6. Nitrogen acids
  • chapter 7. Additional types of acids
  • chapter 8. Acidities in nonaqueous solvents
  • chapter 9. Additional factors influencing acidity and basicity
  • chapter 10. Conclusions.
"The book describes how one can calculate the acidities and basicities of chemicals (pKa is the dissociation constant). Many drugs, industrial chemicals, biochemicals and pollutants dissociate to form new species under different conditions. The nature of the species present has a profound effect on how the species act, and it is important to be able to estimate which species will be present under different conditions. No other book summarizes how one can estimate the natures of the species present using modern theoretical methods. This book fills that need"-- Provided by publisher.
Book
1 online resource (xvi, 154 pages) : illustrations (some color).
Book
1 online resource (xiii, 354 pages) : illustrations (some color).
Book
1 online resource (viii, 366 pages) : illustrations (some color).
Book
1 online resource (xii, 253 pages) : illustrations (some color)
Book
1 online resource (xxi, 363 pages) : illustrations (some color).
Ellipsometry is the method of choice to determine the properties of surfaces and thin films. It provides comprehensive and sensitive characterization in contactless and non-invasive measurements. This book gives a state-of-the-art survey of ellipsometric investigations of organic films and surfaces, from laboratory to synchrotron applications, with a special focus on in-situ use in processing environments and at solid-liquid interfaces. In conjunction with the development of functional organic, meta- and hybrid materials for new optical, electronic, sensing and biotechnological devices and fabrication advances, the ellipsometric analysis of their optical and material properties has progressed rapidly in the recent years.
Ellipsometry is the method of choice to determine the properties of surfaces and thin films. It provides comprehensive and sensitive characterization in contactless and non-invasive measurements. This book gives a state-of-the-art survey of ellipsometric investigations of organic films and surfaces, from laboratory to synchrotron applications, with a special focus on in-situ use in processing environments and at solid-liquid interfaces. In conjunction with the development of functional organic, meta- and hybrid materials for new optical, electronic, sensing and biotechnological devices and fabrication advances, the ellipsometric analysis of their optical and material properties has progressed rapidly in the recent years.
Book
1 online resource : text file, PDF
  • 1. The theoretical fundamentals of macromolecules fractal analysis
  • 2. Fractal physics of polymer solutions
  • 3. The fractal analysis of polymer melts.
  • 1. The theoretical fundamentals of macromolecules fractal analysis
  • 2. Fractal physics of polymer solutions
  • 3. The fractal analysis of polymer melts.
Book
1 online resource (xxi, 161 pages) : illustrations (some color).
Book
1 online resource (xii, 139 pages) : illustrations (some color).
  • An overview and practical guide to building Markov state models
  • Markov model theory
  • Estimation and Validation of Markov models
  • Uncertainty estimation
  • Analysis of Markov models
  • Transition Path Theory
  • Understanding Protein Folding using Markov state models
  • Understanding Molecular Recognition by Kinetic Network Models Constructed from Molecular Dynamics Simulations
  • Markov State and Diffusive Stochastic Models in Electron Spin Resonance
  • Software for building Markov state models.
The aim of this book volume is to explain the importance of Markov state models to molecular simulation, how they work, and how they can be applied to a range of problems. The Markov state model (MSM) approach aims to address two key challenges of molecular simulation: 1) How to reach long timescales using short simulations of detailed molecular models 2) How to systematically gain insight from the resulting sea of data MSMs do this by providing a compact representation of the vast conformational space available to biomolecules by decomposing it into states sets of rapidly interconverting conformations and the rates of transitioning between states.This kinetic definition allows one to easily vary the temporal and spatial resolution of an MSM from high-resolution models capable of quantitative agreement with (or prediction of) experiment to low-resolution models that facilitate understanding. Additionally, MSMs facilitate the calculation of quantities that are difficult to obtain from more direct MD analyses, such as the ensemble of transition pathways. This book introduces the mathematical foundations of Markov models, how they can be used to analyze simulations and drive efficient simulations, and some of the insights these models have yielded in a variety of applications of molecular simulation.
  • An overview and practical guide to building Markov state models
  • Markov model theory
  • Estimation and Validation of Markov models
  • Uncertainty estimation
  • Analysis of Markov models
  • Transition Path Theory
  • Understanding Protein Folding using Markov state models
  • Understanding Molecular Recognition by Kinetic Network Models Constructed from Molecular Dynamics Simulations
  • Markov State and Diffusive Stochastic Models in Electron Spin Resonance
  • Software for building Markov state models.
The aim of this book volume is to explain the importance of Markov state models to molecular simulation, how they work, and how they can be applied to a range of problems. The Markov state model (MSM) approach aims to address two key challenges of molecular simulation: 1) How to reach long timescales using short simulations of detailed molecular models 2) How to systematically gain insight from the resulting sea of data MSMs do this by providing a compact representation of the vast conformational space available to biomolecules by decomposing it into states sets of rapidly interconverting conformations and the rates of transitioning between states.This kinetic definition allows one to easily vary the temporal and spatial resolution of an MSM from high-resolution models capable of quantitative agreement with (or prediction of) experiment to low-resolution models that facilitate understanding. Additionally, MSMs facilitate the calculation of quantities that are difficult to obtain from more direct MD analyses, such as the ensemble of transition pathways. This book introduces the mathematical foundations of Markov models, how they can be used to analyze simulations and drive efficient simulations, and some of the insights these models have yielded in a variety of applications of molecular simulation.
Book
1 online resource (xiii, 182 pages) : illustrations (some color)
Book
1 online resource (xxii, 565 pages) : illustrations (some color).
This book deals with the Laser-Induced Breakdown Spectroscopy (LIBS), a widely used atomic emission spectroscopy technique for elemental analysis of materials. It is based on the use of a high-power, short pulse laser excitation. The book is divided into two main sections: the first one concerning theoretical aspects of the technique, the second one describing the state of the art in applications of the technique in different scientific/technological areas. Numerous examples of state of the art applications provide the readers an almost complete scenario of the LIBS technique. The LIBS theoretical aspects are reviewed. The book helps the readers who are less familiar with the technique to understand the basic principles. Numerous examples of state of the art applications give an almost complete scenario of the LIBS technique potentiality. These examples of applications may have a strong impact on future industrial utilization. The authors made important contributions to the development of this field.
This book deals with the Laser-Induced Breakdown Spectroscopy (LIBS), a widely used atomic emission spectroscopy technique for elemental analysis of materials. It is based on the use of a high-power, short pulse laser excitation. The book is divided into two main sections: the first one concerning theoretical aspects of the technique, the second one describing the state of the art in applications of the technique in different scientific/technological areas. Numerous examples of state of the art applications provide the readers an almost complete scenario of the LIBS technique. The LIBS theoretical aspects are reviewed. The book helps the readers who are less familiar with the technique to understand the basic principles. Numerous examples of state of the art applications give an almost complete scenario of the LIBS technique potentiality. These examples of applications may have a strong impact on future industrial utilization. The authors made important contributions to the development of this field.
Book
1 online resource.
Book
1 online resource (xiii, 174 pages) : illustrations (some color).
  • From the Contents: Introduction
  • Measuring the photoelectron signal
  • The study of ionic dissociations
  • Thermochemistry
  • Experimental
  • The synchrotron radiation source
  • The endstation
  • Capturing the electron signal
  • The experimental results
  • Theory
  • Computational methods
  • Modelling.
Jonelle Harvey's thesis outlines two related experimental techniques which are utilised to investigate small halogenated molecules: threshold photoelectron spectroscopy and threshold photoelectron photoion coincidence techniques. All the experiments were conducted at the vacuum ultraviolet beamline of the Swiss Light Source, which is a synchrotron photon source offering easy tunability. In this thesis, three studies are presented which combine experimental and computational ab initio approaches. The first study involves the fast dissociation of halogenated methanes in order to construct a self-consistent thermochemical network. The second study investigates the fragmentations of fluoroethenes from timebombs, which break apart very slowly but explosively, to fast dissociators. The third study uncovers how vital conical interactions underpin both the results of photoelectron spectra and dissociation patterns.The details included in this work are useful for researchers in the same field as well as those readers wishing to obtain a solid introduction into the types of systems encountered in threshold photoelectron photoion coincidence spectroscopy.
  • From the Contents: Introduction
  • Measuring the photoelectron signal
  • The study of ionic dissociations
  • Thermochemistry
  • Experimental
  • The synchrotron radiation source
  • The endstation
  • Capturing the electron signal
  • The experimental results
  • Theory
  • Computational methods
  • Modelling.
Jonelle Harvey's thesis outlines two related experimental techniques which are utilised to investigate small halogenated molecules: threshold photoelectron spectroscopy and threshold photoelectron photoion coincidence techniques. All the experiments were conducted at the vacuum ultraviolet beamline of the Swiss Light Source, which is a synchrotron photon source offering easy tunability. In this thesis, three studies are presented which combine experimental and computational ab initio approaches. The first study involves the fast dissociation of halogenated methanes in order to construct a self-consistent thermochemical network. The second study investigates the fragmentations of fluoroethenes from timebombs, which break apart very slowly but explosively, to fast dissociators. The third study uncovers how vital conical interactions underpin both the results of photoelectron spectra and dissociation patterns.The details included in this work are useful for researchers in the same field as well as those readers wishing to obtain a solid introduction into the types of systems encountered in threshold photoelectron photoion coincidence spectroscopy.

Looking for different results?

Modify your search: Remove limit(s) Search all fields Search without "and" "of" "the"

Search elsewhere: Search WorldCat Search library website