Author: Deon Stafford Anex
Publisher:
ISBN:
Category : Hydrocyanic acid
Languages : en
Pages : 202
Book Description
Vibrational Spectroscopy of Hydrogen Cyanide Clusters
Author: Deon Stafford Anex
Publisher:
ISBN:
Category : Hydrocyanic acid
Languages : en
Pages : 202
Book Description
Publisher:
ISBN:
Category : Hydrocyanic acid
Languages : en
Pages : 202
Book Description
Hydrogen Bonding
Author: Steve Scheiner
Publisher: Oxford University Press
ISBN: 0198025092
Category : Science
Languages : en
Pages : 396
Book Description
Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.
Publisher: Oxford University Press
ISBN: 0198025092
Category : Science
Languages : en
Pages : 396
Book Description
Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.
Handbook of Nanophysics
Author: Klaus D. Sattler
Publisher: CRC Press
ISBN: 1420075454
Category : Science
Languages : en
Pages : 718
Book Description
In the 1990s, nanoparticles and quantum dots began to be used in optical, electronic, and biological applications. Now they are being studied for use in solid-state quantum computation, tumor imaging, and photovoltaics. Handbook of Nanophysics: Nanoparticles and Quantum Dots focuses on the fundamental physics of these nanoscale materials and struct
Publisher: CRC Press
ISBN: 1420075454
Category : Science
Languages : en
Pages : 718
Book Description
In the 1990s, nanoparticles and quantum dots began to be used in optical, electronic, and biological applications. Now they are being studied for use in solid-state quantum computation, tumor imaging, and photovoltaics. Handbook of Nanophysics: Nanoparticles and Quantum Dots focuses on the fundamental physics of these nanoscale materials and struct
Publications of the National Institute of Standards and Technology ... Catalog
Author: National Institute of Standards and Technology (U.S.)
Publisher:
ISBN:
Category : Government publications
Languages : en
Pages : 464
Book Description
Publisher:
ISBN:
Category : Government publications
Languages : en
Pages : 464
Book Description
Hydrogen Bond Research
Author: Peter Schuster
Publisher: Springer Science & Business Media
ISBN: 3709164192
Category : Science
Languages : en
Pages : 120
Book Description
Seven review articles and original papers provide a representative overview of the research work done in hydrogen bond research at Austrian universities. The topics covered by the contributions are: state-of-the-art of understanding hydrogen bonding in biopolymers; recent NMR techniques for studying hydrogen bonding in aqueous solutions; intramolecular hydrogen bonding and proton transfer in a class of Mannich bases derived from substituted phenols and naphthols; competition between intramolecular hydrogen bonds in ortho-disubstituted phenols; molecular dynamic simulations on proton transfer in 5,8-dihydroxynaphthoquinone and in the formic acid dimer; accurate calculations of the intermolecular interactions in cyanoacetylen dimers; correlation between OH...O bond distances and OH stretching frequencies as derived from structural and spectroscopic data of minerals.
Publisher: Springer Science & Business Media
ISBN: 3709164192
Category : Science
Languages : en
Pages : 120
Book Description
Seven review articles and original papers provide a representative overview of the research work done in hydrogen bond research at Austrian universities. The topics covered by the contributions are: state-of-the-art of understanding hydrogen bonding in biopolymers; recent NMR techniques for studying hydrogen bonding in aqueous solutions; intramolecular hydrogen bonding and proton transfer in a class of Mannich bases derived from substituted phenols and naphthols; competition between intramolecular hydrogen bonds in ortho-disubstituted phenols; molecular dynamic simulations on proton transfer in 5,8-dihydroxynaphthoquinone and in the formic acid dimer; accurate calculations of the intermolecular interactions in cyanoacetylen dimers; correlation between OH...O bond distances and OH stretching frequencies as derived from structural and spectroscopic data of minerals.
Molecular and Laser Spectroscopy
Author: V.P. Gupta
Publisher: Elsevier
ISBN: 0128188715
Category : Science
Languages : en
Pages : 706
Book Description
Molecular and Laser Spectroscopy, Advances and Applications: Volume 2 gives students and researchers an up-to-date understanding of the fast-developing area of molecular and laser spectroscopy. This book covers basic principles and advances in several conventional as well as new and upcoming areas of molecular and laser spectroscopy, such as a wide range of applications in medical science, material science, standoff detection, defence and security, chemicals and pharmaceuticals, and environmental science. It covers the latest advancements, both in terms of techniques and applications, and highlights future projections. Editors V.P. Gupta and Yukihiro Ozaki have brought together eminent scientists in different areas of spectroscopy to develop specialized topics in conventional molecular spectroscopy (Cavity ringdown, Matrix Isolation, Intense THz, Far- and Deep- UV, Optogalvanic ), linear and nonlinear laser spectroscopy (Rayleigh & Raman Scattering), Ultrafast Time-resolved spectroscopy, and medical applications of molecular spectroscopy. and advanced material found in research articles. This new volume expands upon the topics covered in the first volume for scientists to learn the latest techniques and put them to practical use in their work. - Covers several areas of spectroscopy research and expands upon topics covered in the first volume - Includes exhaustive lists of research articles, reviews, and books at the end of each chapter to further learning objectives - Uses illustrative examples of the varied applications to provide a practical guide to those interested in using molecular and laser spectroscopy tools in their research
Publisher: Elsevier
ISBN: 0128188715
Category : Science
Languages : en
Pages : 706
Book Description
Molecular and Laser Spectroscopy, Advances and Applications: Volume 2 gives students and researchers an up-to-date understanding of the fast-developing area of molecular and laser spectroscopy. This book covers basic principles and advances in several conventional as well as new and upcoming areas of molecular and laser spectroscopy, such as a wide range of applications in medical science, material science, standoff detection, defence and security, chemicals and pharmaceuticals, and environmental science. It covers the latest advancements, both in terms of techniques and applications, and highlights future projections. Editors V.P. Gupta and Yukihiro Ozaki have brought together eminent scientists in different areas of spectroscopy to develop specialized topics in conventional molecular spectroscopy (Cavity ringdown, Matrix Isolation, Intense THz, Far- and Deep- UV, Optogalvanic ), linear and nonlinear laser spectroscopy (Rayleigh & Raman Scattering), Ultrafast Time-resolved spectroscopy, and medical applications of molecular spectroscopy. and advanced material found in research articles. This new volume expands upon the topics covered in the first volume for scientists to learn the latest techniques and put them to practical use in their work. - Covers several areas of spectroscopy research and expands upon topics covered in the first volume - Includes exhaustive lists of research articles, reviews, and books at the end of each chapter to further learning objectives - Uses illustrative examples of the varied applications to provide a practical guide to those interested in using molecular and laser spectroscopy tools in their research
Dynamics of Polyatomic Van der Waals Complexes
Author: Nadine Halberstadt
Publisher: Springer Science & Business Media
ISBN: 146848009X
Category : Science
Languages : en
Pages : 527
Book Description
This publication is the Proceedings of the NATO Advanced Research Workshop (ARW) on the Dynamics of Polyatomic Van der Waals Molecules held at the Chateau de Bonas, Castera-Verduzan, France, from August 21 through August 26, 1989. Van der Waals complexes provide important model problems for understanding energy transfer and dissipation. These processes can be described in great detail for Van der Waals complexes, and the insight gained from such studies can be applied to more complicated chemical problems that are not amenable to detailed study. The workshop concentrated on the current questions and future prospects for extend ing our highly detailed knowledge of triatomic Van der Waals molecule dynamics to polyatomic molecules and clusters (one molecule surrounded by several, or up to sev eral tens of, atoms). Both experimental and theoretical studies were discussed, with particular emphasis on the dynamical behavior of dissociation as observed in the dis tributions of quantum states of the dissociation product molecules. The discussion of theoretical approaches covered the range from complete ab initio studies with a rig orous quantum mechanical treatment of the dynamics to the empirical determination of potential energy surfaces and a classical mechanical treatment of the dynamics. Time independent, time dependent and statistical approaches were considered. The workshop brought together experts from different fields which, we hope, benefited from their mutual interaction around the central theme of the Dynamics of Van der Waals complexes.
Publisher: Springer Science & Business Media
ISBN: 146848009X
Category : Science
Languages : en
Pages : 527
Book Description
This publication is the Proceedings of the NATO Advanced Research Workshop (ARW) on the Dynamics of Polyatomic Van der Waals Molecules held at the Chateau de Bonas, Castera-Verduzan, France, from August 21 through August 26, 1989. Van der Waals complexes provide important model problems for understanding energy transfer and dissipation. These processes can be described in great detail for Van der Waals complexes, and the insight gained from such studies can be applied to more complicated chemical problems that are not amenable to detailed study. The workshop concentrated on the current questions and future prospects for extend ing our highly detailed knowledge of triatomic Van der Waals molecule dynamics to polyatomic molecules and clusters (one molecule surrounded by several, or up to sev eral tens of, atoms). Both experimental and theoretical studies were discussed, with particular emphasis on the dynamical behavior of dissociation as observed in the dis tributions of quantum states of the dissociation product molecules. The discussion of theoretical approaches covered the range from complete ab initio studies with a rig orous quantum mechanical treatment of the dynamics to the empirical determination of potential energy surfaces and a classical mechanical treatment of the dynamics. Time independent, time dependent and statistical approaches were considered. The workshop brought together experts from different fields which, we hope, benefited from their mutual interaction around the central theme of the Dynamics of Van der Waals complexes.
Conceptual Perspectives in Quantum Chemistry
Author: Jean-Louis Calais
Publisher: Springer Science & Business Media
ISBN: 9401155720
Category : Science
Languages : en
Pages : 562
Book Description
The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.
Publisher: Springer Science & Business Media
ISBN: 9401155720
Category : Science
Languages : en
Pages : 562
Book Description
The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.
Encyclopedia of Spectroscopy and Spectrometry
Author:
Publisher: Academic Press
ISBN: 0128032251
Category : Science
Languages : en
Pages : 3716
Book Description
This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas
Publisher: Academic Press
ISBN: 0128032251
Category : Science
Languages : en
Pages : 3716
Book Description
This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas
Handbook of Vibrational Spectroscopy
Author: John M. Chalmers
Publisher:
ISBN:
Category : Vibrational spectra
Languages : en
Pages : 880
Book Description
Publisher:
ISBN:
Category : Vibrational spectra
Languages : en
Pages : 880
Book Description