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Author: Jürgen Hinze
Publisher: Springer Science & Business Media
ISBN: 1461336678
Category : Technology & Engineering
Languages : en
Pages : 606
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Book Description
We characterize an isolated molecule by its compos~t~on, i.e. the number and types of atoms forming the molecule, its structure, i.e. the geometrical arrangement of the composite atoms with respect to each other, and its possible, i.e. quantum mechanically allowed, stationary energy states. Conceptually we separate the latter, being aware that this is an approximation, into electronic, vibrational and rotational states, including fine and hyperfine structure splittings. To be sure, there is an intimate relation between molecular structure and molecular energy states, in fact it is this relation we use, when we obtain structural information through spectroscopy, where we determine transitions between various stationary states of the molecule. The concepts above have proven extremely useful in chemistry and spectroscopy, however, the awareness of the limitations of these concepts has grown in recent years with the increasing recognition of (i) fluctional molecules, (ii) multiphoton absorption processes and (iii) influences due to the surroundings on "isolated" molecules.
Author: Jürgen Hinze
Publisher: Springer Science & Business Media
ISBN: 1461336678
Category : Technology & Engineering
Languages : en
Pages : 606
Get Book Here
Book Description
We characterize an isolated molecule by its compos~t~on, i.e. the number and types of atoms forming the molecule, its structure, i.e. the geometrical arrangement of the composite atoms with respect to each other, and its possible, i.e. quantum mechanically allowed, stationary energy states. Conceptually we separate the latter, being aware that this is an approximation, into electronic, vibrational and rotational states, including fine and hyperfine structure splittings. To be sure, there is an intimate relation between molecular structure and molecular energy states, in fact it is this relation we use, when we obtain structural information through spectroscopy, where we determine transitions between various stationary states of the molecule. The concepts above have proven extremely useful in chemistry and spectroscopy, however, the awareness of the limitations of these concepts has grown in recent years with the increasing recognition of (i) fluctional molecules, (ii) multiphoton absorption processes and (iii) influences due to the surroundings on "isolated" molecules.
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309168392
Category : Science
Languages : en
Pages : 238
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Book Description
Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Author: Agustin Valera-Medina
Publisher: Academic Press
ISBN: 0128208864
Category : Science
Languages : en
Pages : 340
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Book Description
Techno-Economic Challenges of Green Ammonia as an Energy Vector presents the fundamentals, techno-economic challenges, applications, and state-of-the-art research in using green ammonia as a route toward the hydrogen economy. This book presents practical implications and case studies of a great variety of methods to recover stored energy from ammonia and use it for power, along with transport and heating applications, including its production, storage, transportation, regulations, public perception, and safety aspects. As a unique reference in this field, this book can be used both as a handbook by researchers and a source of background knowledge by graduate students developing technologies in the fields of hydrogen economy, hydrogen energy, and energy storage. - Includes glossaries, case studies, practical concepts, and legal, public perception, and policy viewpoints that allow for thorough, practical understanding of the use of ammonia as energy carrier - Presents its content in a modular structure that can be used in sequence, as a handbook, in individual parts or as a field reference - Explores the use of ammonia, both as a medium for hydrogen storage and an energy vector unto itself
Author: John S. Avery
Publisher: Springer Science & Business Media
ISBN: 0306469448
Category : Science
Languages : en
Pages : 202
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Book Description
This text explores the connections between the theory of hyperspherical harmonics, momentum-space quantum theory and generalized Sturmian basis functions. It also introduces methods which may be used to solve many-particle problems directly, without the use of the self-consistent-field approximation.; The method of many-electron Sturmians offers an interesting alternative to the usual SCF-CI methods for calculating atomic and molecular structure. When many-electron Sturmians are used, and when the basis potential is chosen to be the attractive potential of the nuclei in the system, the following advantages are offered: the matrix representation of the nuclear attraction potential is diagonal; the kinetic energy term vanishes from the secular equation; the Slater exponents of the atomic orbitals are automatically optimized; convergence is rapid; a correlated solution to the many-electron problem can be obtained directly, without the use of the SCF approximation; and excited states can be obtained with good accuracy.; The text should be of interest to advanced students and research workers in theoretical chemistry, physics and mathematics.
Author: Amnon Kohen
Publisher: CRC Press
ISBN: 1420028022
Category : Medical
Languages : en
Pages : 1092
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Book Description
The field of isotope effects has expanded exponentially in the last decade, and researchers are finding isotopes increasingly useful in their studies. Bringing literature on the subject up to date, Isotope Effects in Chemistry and Biology covers current principles, methods, and a broad range of applications of isotope effects in the physical, biolo
Author: Los Alamos National Laboratory
Publisher:
ISBN:
Category : Research
Languages : en
Pages : 192
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Book Description
Author: Young S. Kim
Publisher: Springer
ISBN: 3540479015
Category : Science
Languages : en
Pages : 457
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Book Description
The concept of phase space plays a decisive role in the study of the transition from classical to quantum physics. This is particularly the case in areas such as nonlinear dynamics and chaos, geometric quantization and the study of the various semi-classical theories, which are the setting of the present volume. Much of the content is devoted to the study of the Wigner distribution. This volume gives the first complete survey of the progress made by both mathematicians and physicists. It will serve as an excellent reference for further research.
Author: Hans Primas
Publisher: Springer
ISBN: 3319473700
Category : Science
Languages : en
Pages : 431
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Book Description
This is a unique volume by a unique scientist, which combines conceptual, formal, and engineering approaches in a way that is rarely seen. Its core is the relation between ways of learning and knowing on the one hand and different modes of time on the other. Partial Boolean logic and the associated notion of complementarity are used to express this relation, and mathematical tools of fundamental physics are used to formalize it. Along the way many central philosophical problems are touched and addressed, above all the mind-body problem. Completed only shortly before the death of the author, the text has been edited and annotated by the author's close collaborator Harald Atmanspacher.
Author: Martin Quack
Publisher: John Wiley & Sons
ISBN: 0470066539
Category : Science
Languages : en
Pages : 2236
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Book Description
The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Author: Roberto Marquardt
Publisher: Elsevier
ISBN: 0128172355
Category : Science
Languages : en
Pages : 376
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Book Description
Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. - Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion - Presents the most recent developments in the detection and interpretation of ultra-fast phenomena - Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
