R Otto et al.
Nature chemistry, 4(7), 534-538 (2012-06-22)
Solvents have a profound influence on chemical reactions in solution and have long been used to control their outcome. Such effects are generally considered to be governed by thermodynamics; however, little is known about the steric effects of solvent molecules....
Christian R Evenhuis et al.
The journal of physical chemistry. A, 115(23), 5992-6001 (2011-02-12)
The photodissociation of methyl iodide in the A band is studied by full-dimensional (9D) wave packet dynamics calculations using the multiconfigurational time-dependent Hartree approach. The potential energy surfaces employed are based on the diabatic potentials of Xie et al. [J....
Nicole J Rijs et al.
Dalton transactions (Cambridge, England : 2003), 39(37), 8655-8662 (2010-08-18)
A combination of multistage mass spectrometry experiments and DFT calculations were used to examine the synthesis and reactivity of dimethylaurate. Collision induced dissociation (CID) of [(CH(3)CO(2))(4)Au](-) proceeded via reductive elimination of acetylperoxide to yield the diacetate [CH(3)CO(2)AuO(2)CCH(3)](-), which in turn...
Lifang Luo et al.
Environmental science & technology, 44(16), 6275-6280 (2010-08-14)
For fumigants, information on transport and fate as well as pest control is needed to develop management practices with the fewest negative environmental effects while offering sufficient pest control efficacy. For this purpose, a 2-D soil chamber with a surface-mounted...
Microhydration effects on the intermediates of the S(N)2 reaction of iodide anion with methyl iodide.
Keisuke Doi et al.
Angewandte Chemie (International ed. in English), 52(16), 4380-4383 (2013-01-31)