The recently reported Random Incremental Pulse Search (RIPS) technique has been used to probe the conformational energy surface of cyclononane. The stochastic method permits searching of the potential energy surface for all minimum-energy conformations. The search located all previously reported str
Conformational analysis of dimethylphosphate with quantum-mechanical and classical methods
β Scribed by Giovanni Lipari; Camillo Tosi
- Publisher
- Springer
- Year
- 1978
- Tongue
- English
- Weight
- 619 KB
- Volume
- 50
- Category
- Article
- ISSN
- 1432-2234
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The 1,5-cyclooctadiene COD molecule can easily form complexes with transition metals with the molecular structure of various of these complexes being proposed with the aid of X-ray diffraction methods. The fact that the complexes exhibit weak metalαCOD bonds makes it very important in inorganic synt
The hmrtatrons of the concept of a drhedral angle III conformational analysrs are drscussed The madequacy of the descrrptron of molecules as canomcal forms 1s emphasued by ensemble averagmg of quantum mechanical expectation values of the drhedral angle for a srmple. two-fold potentral The unportance
Quantitative comparisons of results obtained from a semi-classical approximation and from the numerical solution of the time-independent Schriidinger equation are presented for interactions in a system of small reduced mass involving hydrogen as one of the collision partners. The differences in tran