Author: Arunava GuptaPublisher:
ISBN:
Category : Barium
Languages : en
Pages : 458
Book Description
Molecular Beam Studies of the Reaction Dynamics of Ba + HF and Sr + HF
Author: Arunava GuptaPublisher:
ISBN:
Category : Barium
Languages : en
Pages : 458
Book Description
The Study of Reaction Dynamics of Sr+HF and Ca+HX
Author: Chiu-Kwan ManPublisher:
ISBN:
Category : Barium
Languages : en
Pages : 198
Book Description
AFOSR Chemical & Atmospheric Sciences Program Review
Author: United States. Air Force. Directorate of Chemical and Atmospheric SciencesPublisher:
ISBN:
Category : Atmospheric chemistry
Languages : en
Pages : 594
Book Description
Reaction Dynamics
Author: I. SmithPublisher: Springer Science & Business Media
ISBN: 1468435574
Category : Science
Languages : en
Pages : 290
Book Description
During the last 30 years our knowledge and understanding of molecular processes has followed the development of increasingly sophisticated tech niques for studying fast reactions. Although the results are reported in papers and reviews, it is sometimes difficult for those not themselves active in these fields to find their way through the mass of published material. We hope that each book in this series will present a clear account of the present state of knowledge in a particular field of physical chemistry to research workers in related fields, to research students, and for the preparation of undergraduate and post-graduate lectures. Each chapter describes the theoretical develop ment of one area of study and the appropriate experimental techniques; the results presented are chosen to illustrate the theory rather than to attempt a comprehensive review. The first volume published in 1972 was concerned with the reactions of small molecules and free radicals in the gas phase. The development of flash photolysis in the 1950s paved the way by making it possible to generate free radicals in sufficient concentration for a spectroscopic" snapshot" to reveal their molecular structure. Their role in kinetic systems could then be followed directly, rather than be inferred from mechanism. The shock tube enabled gas mixtures to be heated to any desired temperature in a time which was shorter than subsequent chemical reactions. Discharge-flow methods enabled the reactions of atoms and free radicals to be studied directly.
Crossed Molecular Beam Studies of Atmospheric Chemical Reaction Dynamics
Author: Jingsong ZhangReaction Dynamics Studies with Rovibrationally Selected Reagents
Author: Rong ZhangMolecular Beam Studies of Reaction Dynamics
Author: Publisher:
ISBN:
Category :
Languages : en
Pages : 7
Book Description
Thrust was to elucidate simple elementary reactions and to unravel mechanism of complex/photochemical reactions. Molecular beams are used to study reactions between molecules or to monitor photodissociation events in a collision-free environment. Recent activities centered on reactions involving oxygen atoms with unsaturated hydrocarbons, endothermic substitution reactions, dependence of reactivity of excited atoms on alignment of excited orbitals, photochemical reactions of polyatomic, energy transfer, free radicals in combustion processes, infrared absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation.
Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
Author: Antonio LaganàPublisher: Springer Science & Business Media
ISBN: 9400909454
Category : Science
Languages : en
Pages : 436
Book Description
The need for accurate computational procedures to evaluate detailed properties of gas phase chemical reactions is evident when one considers the wealth of information provided by laser, molecular beam and fast How experiments. By stressing ordinary scalar computers to their limiting performance quantum chemistry codes can already provide sufficiently accurate estimates of the stability of several small molecules and of the reactivity of a few elementary processes. However, the accurate characterization of a reactive process, even for small systems, is so demanding in terms of computer resources to make the use of supercomputers having vector and parallel features unavoidable. Sometimes to take full advantage from these features all is needed is a restructure of those parts of the computer code which perform vector and matrix manipulations and a parallel execution of its independent tasks. More often, a deeper restructure has to be carried out. This may involve the problem of choosing a suitable computational strategy or the more radical alternative of changing the theoretical treatment. There are cases, in fact, where theoretical approaches found to be inefficient on a scalar computer exhibit their full computational strength on a supercomputer.
Molecular Beams Studies of the Energetics and Dynamics of Elementary Chemical Reactions
Author: Publisher:
ISBN:
Category :
Languages : en
Pages :
Book Description
Quantum mechanical effects on the angular distribution of HF products from the F + H2 reaction were studied using crossed atomic and molecular beams with a rotatable mass spectrometer detector and time-of-flight velocity analysis. Measurement of the singlet-triplet splitting of CH2 from the recoil velocities of fragments from ketene photodissociation in a molecular beam is also reported. Partial center-of-mass angular distributions, and velocity flux contour maps have been derived for individual vibrational states of the HF product from the F + H2 reaction at collision energies of 2 and 3 kcal/mole. The center-of-mass distributions were obtained by analysis of laboratory angular and time-of-flight measurements of the reactive scattering. The results are consistent with recent three dimensional quantum mechanical scattering calculations, which predict that resonance effects should appear in the product angular distributions in this energy range. The photofragmentation of ketene in a molecular beam was used to measure the singlet-triplet splitting in CH2. A rare gas halide excimer laser operating at 351 nm (XeF) and 308 nm (XeCl) dissociated the ketene. Time-of-flight measurements of the fragment velocities allowed determination of the energetics of the dissociation. The 1A1 - 3B1 splitting in CH2 was found to be 8.5 +- 0.8 kcal/mole. This agrees with many experimental results, but not with the value of 19.5 kcal/mole derived from recent photodetachment experiments on CH2−.
Author: David Andrew Blank