Abstract Rate coefficients for elementary reactions connected to the potential energy wells of SiHCl 3 , SiH 2 Cl and Cl, which are important Si 1 species in chemical vapor deposition (CVD) processes that use chlorosilanes as silicon source gases, were determined through Rice–Ramsperger–Kassel–Marcus (RRKM) theory various conditions temperature pressure. Many unimolecular decomposition channels...

Unimolecular rate theory for various types of reactions is implemented for any looseness of transition state. Quantum states are counted for all but the ‘‘transitional’’ modes, their phase space being counted via Monte Carlo sampling. The rate constant kEJ is then weighted with the initial E and J distributions. 2013 Elsevier B.V. All rights reserved.

The photodissociation of jet-cooled cyclohexyl was studied by exciting the radicals to their 3p Rydberg state using 248 nm laser light and detecting photoproducts photofragment translational spectroscopy. Both H atom loss dissociation heavy fragment pairs are observed. channel exhibits a two-component energy distribution. fast photoproduct component is attributed impulsive cleavage directly fro...

The gas-phase fragmentation of protonated phenylalanine and a series of its derivatives (tyrosine, 4-methylphenylalanine, 4-aminophenylalanine, 4-methoxyphenylalanine, 4-tert-butylphenylalanine, 4-fluorophenylalanine, 4-chlorophenylalanine, 4-bromophenylalanine, 4-iodophenylalanine, 4-cyanophenylalanine, 4-nitrophenylalanine, 3-fluorophenylalanine, and 3,4-dichlorophenylalanine) were examined u...

Theoretical investigations on the kinetics of pentan-2-ol radical decomposition and isomerization reactions have been carried out in this work, together with thermochemistry data calculations for important species involved reaction process. The B2PLYPD3/6-311++G(d,p) level theory was used to optimize geometries all reactants, transition states, products also hindered rotor treatment lower frequ...