Download or read book Predissociation Dynamics of the Rydberg 3 S State and Vibrational Structure of the X 2A2 State of the Methyl Radical written by Sjon Gregory Westre and published by . This book was released on 1992 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ACS Directory of Graduate Research 1993 written by American Chemical Society. Committee on Professional Training and published by . This book was released on 1993 with total page 1700 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1993 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book American Doctoral Dissertations written by and published by . This book was released on 1992 with total page 796 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book International Aerospace Abstracts written by and published by . This book was released on 1989 with total page 932 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1983 with total page 856 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy written by S. Langhoff and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.
Download or read book Selected Scientific Papers of E U Condon written by E.U. Condon and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 651 pages. Available in PDF, EPUB and Kindle. Book excerpt: E.U. Condon's major contributions were in atomic and molecular physics and spectroscopy; his book with G.H. Shortley on The Theory of Atomic Spectra dominated the field of spectroscopy for half a century and remains an invaluable reference. He also played an important role in the institutions of American science. He served for many years as the editor of Reviews of Modern Physics, and with Hugh Odishaw he edited the still widely used Handbook of Physics. After World War II, Condon became director of the National Bureau of Standards (now NIST), and helped to make it one of the premier research laboratories in the physical sciences in the world. The Selected Scientific Papers reprint many of the most important contributions Condon made to atomic physics, quantum theory, nuclear physics, condensed-matter physics and other fields. The Selected Popular Writings contain articles he wrote on technical topics for such journals as The American Journal of Physics, Science, and Nature, as well as reflections on education, UFO's, and other topics.
Download or read book Lasers and Mass Spectrometry written by David M. Lubman and published by Oxford University Press. This book was released on 1990-04-12 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contributors to this volume focus on the fundamentals of the technique of analyzing material based on the atomic weight of the species, using the power and definition of lasers to enable measurement of smaller quantities and more finely localized particles. Each chapter deals with a particular application area and should be sufficient to form an entry point for the utilization of mass spectrometry by graduate students and researchers. The book provides the first full discussion of the new techniques of laser applications in the field.
Download or read book Quantum Mechanical Study of Molecules written by Roop C. Sahni and published by . This book was released on 1964 with total page 56 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Atomic and Plasma material Interaction Data for Fusion written by and published by . This book was released on 1991 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Semiempirical Methods of Electronic Structure Calculation written by Gerald Segal and published by Springer. This book was released on 1977-04-01 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees of freedom, and molecules containing the higher elements of the periodic table remain virtually untouched due to the large numbers of electrons involved. Almost the entire class of molecules of real biological interest is simply out of the question. In general, the theoretician is reduced to model systems of variable appositeness in most of these fields. The fundamental problem, from a basic computational point of view, is that large molecules require large numbers of basis functions, whether Slater type orbitals or Gaussian functions suitably contracted, to provide even a modestly accurate description of the molecular electronic environment. This leads to the necessity of dealing with very large matrices and numbers of integrals within the Hartree-Fock approximation and quickly becomes both numerically difficult and uneconomic.
Download or read book Dissociative Recombination of Molecular Ions with Electrons written by Steven L. Guberman and published by Springer. This book was released on 2012-10-13 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dissociative Recombination of Molecular Ions with Electrons is a comprehensive collection of refereed papers describing the latest developments in dissociative recombination research. The papers are written by the leading researchers in the field. The topics covered include the use of microwave afterglows, merged beams and storage rings to measure rate coefficients and to identify the products and their yields. The molecules studied range in size from the smallest, H2+, to bovine insulin ions. The theoretical papers cover the important role of Rydberg states and the use of wave packets and quantum defect theory to deduce cross sections, rate constants and quantum yields. Several theoretical and experimental papers address the controversial topic of H3+ dissociative recombination and its importance in the interstellar medium. Dissociative recombination studies of other molecular ions in the interstellar medium and in cometary and planetary atmospheres are covered. Ionization is an important competitive process to dissociative recombination and its competition with predissociation and its role in the reverse process of the association of neutral species is presented. Dissociative attachment, in which an electron attaches to a neutral molecule, has many similarities to dissociative recombination. The topics covered include the accurate calculation of electron affinities, attachment to molecules, clusters, and to species absorbed on solid surfaces and electron scattering by a molecular anion.
Download or read book Trapping Highly Charged Ions written by John Gillaspy and published by Nova Publishers. This book was released on 2001 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides and elementary introduction to the field of trapping highly charged ions. The first group of chapters is intended to describe the various sorts of highly charged ion traps: EBIT, EBIS, ECR, Storage Rings and various speciality traps. The authors focus on their own ion trap facilities in order to teach by example. The chapters range in scope from comprehensive reviews to brief introductions. The second group of chapters is intended to give a flavour of the various sorts of scientific research which are presently being carried out with traps for highly charged ions. These chapters not only inform, but also stimulate newcomers to think up fresh ideas. The articles in this second group generally fall into one of three broad categories: atomic structure experiments, ion-surface interactions and precision mass spectrometry. The third group of chapters is intended to deal with theory and spectroscopic analysis. It provides some of the background material necessary to make sense of observed phenomenology, to allow detailed explanation of experimental data, and to sensibly plan further experimentation. An appendix provides a complete keyword-annotated bibliography of pa
Download or read book ZEKE Spectroscopy written by Edward William Schlag and published by Cambridge University Press. This book was released on 1998-06-04 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 1998 book was the first to describe ZEKE (ZEro Kinetic Energy) spectroscopy, a chemistry technique of increasing importance.
Download or read book Abstracts of Papers written by F. E. Ian Hamilton and published by . This book was released on 1964 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Applications of Electronic Structure Theory written by Henry Schaefer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes deal with the quantum theory of the electronic structure of ab initio is the notion that approximate solutions molecules. Implicit in the term of Schrodinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In a sense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those developing new theoretical and computational methods and models. Henry F. Schaefer vii Contents Contents of Volume 3 xv Chapter 1. A Priori Geometry Predictions 1. A. Pople 1. Introduction . . . . . . . . . . . . . . . . . . . 1 2. Equilibrium Geometries by Hartree-Fock Theory 2 2. 1. Restricted and Unrestricted Hartree-Fock Theories 2 2. 2. Basis Sets for Hartree-Fock Studies . . . . . 4 2. 3. Hartree-Fock Structures for Small Molecules . 6 2. 4. Hartree-Fock Structures for Larger Molecules 12 3. Equilibrium Geometries with Correlation . . 18 4. Predictive Structures for Radicals and Cations 20 5. Conclusions 23 References 24 Chapter 2. Barriers to Rotation and Inversion Philip W. Payne and Leland C.
