The relation between algebraic and traditional calculations of molecular vibrations is investigated. An explicit connection between interactions in configuration space and the corresponding algebraic interactions is established. Ab initio calculations for rovibrational spectra of molecular systems
The relation between collinear and 3-D dynamical calculations of reactive molecular collisions
โ Scribed by R.B. Bernstein; R.D. Levine
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 702 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
Qne~important difference between the ;esult! of collinear and of full 3-D dynamical computations &es from, 1 the difftirence in the available volume in phase space (1-D versus 3-D) which cti be termed a "dimensionality-bias".
Correction for fhis phase space factor bows for a more realistic estimate of reaction cross sections, branching ratios r?nd Z&D product.enera distibutions from kollincaz cakulations.
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Three substituted styrenes were respectively synthesized by reaction of benzoic acid, acetic acid, and methanol with vinylbenzylchloride, then copolymerized with maleic anhydride. The measurements of the reactivity ratios of these three copolymerizations were carried out with a method using high con