Download or read book High Resolution Studies of the 1A2 X 1A1Electronic Transition of Formaldehyde written by Cheryl Tatum Ernest and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Formaldehyde (HCHO) plays a primary role in tropospheric chemistry. Its photochemical activity is an important source of radical species such as HCO, H, and subsequently HO2 as well as molecular hydrogen and carbon monoxide. As a source of hydrogen radicals (HOx = OH + HO2), HCHO plays a significant role in the oxidative capacity of the atmosphere, and an important part in the interrelated chemistries of ozone and the HOx and NOx (NO + NO2) cycles. Accurate atmospheric photolysis rates of HCHO are thus required in order to properly model tropospheric chemistry. Despite extensive studies HCHO's spectroscopy and photochemistry remains to be well characterized. Absolute room temperature absorption cross sections for the A1A2 -- X1A1 electronic transition of formaldehyde have been measured over the spectral range 30285 -- 32890 cm-1 (304 -- 330 nm) using ultraviolet (UV) laser absorption spectroscopy. Absorption cross sections were obtained at an instrumental resolution better than 0.09 cm-1 which is slightly broader than the Doppler width of a rotational line of HCHO at 300K (~0.07 cm-1) and so we were able to resolve all but the most closely spaced lines. Qualitative comparisons with spectral simulations show varying agreement depending on vibronic band. Refined state origins and transition dipole moments for each vibronic band have been reported. There is evidence of areas of perturbation and the need to optimize higher order spectral constants. Pressure broadening parameters have been measured and increase with the strength of intermolecular interaction between formaldehyde and the collision partner. Comparisons between the available high-resolution studies and spectral simulations indicate that the HCHO absorption cross section is still not well characterized. The relative quantum yield for the production of radical products, H+HCO, from the UV photolysis of formaldehyde (HCHO) has been measured directly using a Pulsed Laser Photolysis -- Pulsed Laser Induced Fluorescence (PLP -- PLIF) technique across the same spectral region. Relative yields were normalized to a value of 0.69 at 31750 cm-1 based on the current NASA-JPL recommendation. The resulting absolute radical quantum yields agree well with previous experimental studies and show more wavelength dependent behavior than the recommendation. This provides support for the complicated competition among the various HCHO dissociation pathways.
Download or read book High Resolution Studies of the 1A2 X1A1 System of 13C Formaldehyde written by and published by . This book was released on 1979 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Further High Resolution Studies of the A3A2 X1A1 System of Formaldehyde written by and published by . This book was released on 1978 with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Laser Spectroscopy and Laser Imaging written by Helmut H. Telle and published by CRC Press. This book was released on 2018-04-17 with total page 751 pages. Available in PDF, EPUB and Kindle. Book excerpt: "a very valuable book for graduate students and researchers in the field of Laser Spectroscopy, which I can fully recommend" —Wolfgang Demtröder, Kaiserslautern University of Technology How would it be possible to provide a coherent picture of this field given all the techniques available today? The authors have taken on this daunting task in this impressive, groundbreaking text. Readers will benefit from the broad overview of basic concepts, focusing on practical scientific and real-life applications of laser spectroscopic analysis and imaging. Chapters follow a consistent structure, beginning with a succinct summary of key principles and concepts, followed by an overview of applications, advantages and pitfalls, and finally a brief discussion of seminal advances and current developments. The examples used in this text span physics and chemistry to environmental science, biology, and medicine. Focuses on practical use in the laboratory and real-world applications Covers the basic concepts, common experimental setups Highlights advantages and caveats of the techniques Concludes each chapter with a snapshot of cutting-edge advances This book is appropriate for anyone in the physical sciences, biology, or medicine looking for an introduction to laser spectroscopic and imaging methodologies. Helmut H. Telle is a full professor at the Instituto Pluridisciplinar, Universidad Complutense de Madrid, Spain. Ángel González Ureña is head of the Department of Molecular Beams and Lasers, Instituto Pluridisciplinar, Universidad Complutense de Madrid, Spain.
Download or read book High Resolution Absorption and Magnetic Rotation Studies of the A A2 X A1 System of Formaldehyde d written by Dennis J. Clouthier and published by . This book was released on 1983 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Report of NRL Progress written by Naval Research Laboratory (U.S.) and published by . This book was released on 1975-07 with total page 68 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Publications Du Conseil National de Recherches Du Canada written by National Research Council Canada and published by . This book was released on 1977 with total page 808 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book How Tobacco Smoke Causes Disease written by United States. Public Health Service. Office of the Surgeon General and published by . This book was released on 2010 with total page 728 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report considers the biological and behavioral mechanisms that may underlie the pathogenicity of tobacco smoke. Many Surgeon General's reports have considered research findings on mechanisms in assessing the biological plausibility of associations observed in epidemiologic studies. Mechanisms of disease are important because they may provide plausibility, which is one of the guideline criteria for assessing evidence on causation. This report specifically reviews the evidence on the potential mechanisms by which smoking causes diseases and considers whether a mechanism is likely to be operative in the production of human disease by tobacco smoke. This evidence is relevant to understanding how smoking causes disease, to identifying those who may be particularly susceptible, and to assessing the potential risks of tobacco products.
Download or read book Symposium on Molecular Structure and Spectroscopy written by Ohio State University. Dept. of Physics and Astronomy and published by . This book was released on 1960 with total page 816 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Symposium on Molecular Structure and Spectroscopy written by Ohio. State University, Columbus. Dept. of Physics and Astronomy and published by . This book was released on 1966 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Dissipation in Molecular Systems written by André Tramer and published by Springer Science & Business Media. This book was released on 2005-03-29 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: Only a basic knowledge of quantum mechanics and spectroscopy is required of the reader and calculations are reduced to a strict minimum, making the book accessible to students."--Jacket.
Download or read book Orbital Interaction Theory of Organic Chemistry written by Arvi Rauk and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical introduction to orbital interaction theory and its applications in modern organic chemistry Orbital interaction theory is a conceptual construct that lies at the very heart of modern organic chemistry. Comprising a comprehensive set of principles for explaining chemical reactivity, orbital interaction theory originates in a rigorous theory of electronic structure that also provides the basis for the powerful computational models and techniques with which chemists seek to describe and exploit the structures and thermodynamic and kinetic stabilities of molecules. Orbital Interaction Theory of Organic Chemistry, Second Edition introduces students to the fascinating world of organic chemistry at the mechanistic level with a thoroughly self-contained, well-integrated exposition of orbital interaction theory and its applications in modern organic chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive intermediates in terms of orbital interaction theory. Aided by numerous examples and worked problems, he guides readers through basic chemistry concepts, such as acid and base strength, nucleophilicity, electrophilicity, and thermal stability (in terms of orbital interactions), and describes various computational models for describing those interactions. Updated and expanded, this latest edition of Orbital Interaction Theory of Organic Chemistry includes a completely new chapter on organometallics, increased coverage of density functional theory, many new application examples, and worked problems. The text is complemented by an interactive computer program that displays orbitals graphically and is available through a link to a Web site. Orbital Interaction Theory of Organic Chemistry, Second Edition is an excellent text for advanced-level undergraduate and graduate students in organic chemistry. It is also a valuable working resource for professional chemists seeking guidance on interpreting the quantitative data produced by modern computational chemists.
Download or read book International Aerospace Abstracts written by and published by . This book was released on 1985 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Introduction to Quantum Mechanics written by David J. Tannor and published by University Science Books. This book was released on 2018-02-01 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Quantum Mechanics covers quantum mechanics from a time-dependent perspective in a unified way from beginning to end. Intended for upper-level undergraduate and graduate courses this text will change the way people think about and teach quantum mechanics in chemistry and physics departments.
Download or read book From Quantum to Classical Molecular Dynamics written by Christian Lubich and published by European Mathematical Society. This book was released on 2008 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum dynamics of molecules poses a variety of computational challenges that are presently at the forefront of research efforts in numerical analysis in a number of application areas: high-dimensional partial differential equations, multiple scales, highly oscillatory solutions, and geometric structures such as symplecticity and reversibility that are favourably preserved in discretizations. This text addresses such problems in quantum mechanics from the viewpoint of numerical analysis, illustrating them to a large extent on intermediate models between the Schrodinger equation of full many-body quantum dynamics and the Newtonian equations of classical molecular dynamics. The fruitful interplay between quantum dynamics and numerical analysis is emphasized.
Download or read book Science Abstracts written by and published by . This book was released on 1958 with total page 1322 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Recent Progress in Coupled Cluster Methods written by Petr Cársky and published by Springer Science & Business Media. This book was released on 2010-07-03 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: I feel very honored that I have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970. At the beginning of the seventies the rst ab initio calcu- tion were carried out. At that time speed and memory of computers were very limited compared to today’s standards. Moreover, the size of one-electron bases employed was small, so that it was only possible to achieve an orientation in methodical aspects rather than to generate new signi cant results. Extensive use of the coupled-cluster method started at the beginning of the eighties. With the help of more powerful computers the results of coupled-cluster approaches started to yield more and more interesting results of relevance to the interpretation of experimental data. New ideas in methodology kept appearing and computer codes became more and more ef cient. This exciting situation continues to this very day. Remarkably enough, even the - quired equations can now be generated by a computer with the help of symbolic languages. The size of this monograph and the rich variety of articles it contains attests to the usefulness and viability of the couple-cluster formalism for the h- dling of many-electron correlation effects. This represents a vivid testimony of a tremendous work that has been accomplished in coupled-cluster methodology and its exploitation.
