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Motion blending is widely accepted as a standard technique in computer animation, allowing the generation of new motions by interpolation and/or transition between motion capture sequences. To ensure smooth and seamless results, an important property has t ...
Quinodimethanes are highly reactive toward dienophiles since Diels-Alder cycloaddn. results in an arom. product. D. functional-based 13C, 1H NMR, NICS, and MO-NICS calcns. indicate that the increase of arom. character of the developing benzenoid ring along ...
Recently, we have introduced a scheme for optimizing atom-based nonlocal external potentials within the framework of d. functional theory (DFT) in order to systematically improve the description of mol. properties [Phys. Rev. Lett. 93, 153004 (2004); J. Ch ...
(2,6-Dichlorophenyl)trimethyl- and triethylsilane exhibit untypical reactivity patterns toward strong bases: when treated at -100 °C with lithium 2,2,6,6-tetramethylpiperidide two, with sec- or tert-butyllithium even three organometallic intermediates are ...
An Ia mechanism was assigned for water exchange on the hexaaquaions Rh(OH2)63+ and Ir(OH2)63+ on the basis of negative ΔV⧧ experimental values (−4.2 and −5.7 cm3 mol-1, respectively). The use of ΔV⧧ as a mechanistic criterion was open to debate primarily b ...
The regulation of the eukaryotic cell cycle depends on the action of several related Ser/Thr protein kinases called cyclin-dependent kinases (CDKs), which are transiently activated at specific stages of the cycle, and which are also very promising targets ...
A visible-pump/UV-probe transient absorption is used to characterize the ultrafast dynamics of bacteriorhodopsin with 80-fs time resoln. We identify three spectral components in the 265- to 310-nm region, related to the all-trans retinal, tryptophan (Trp)- ...
The present thesis work provides new insight into the generation of allylmetal species and into their reactivity toward electrophiles. endo-Allylpotassiums are known to be more stable than their corresponding exo-isomers. The ring strain of methylenecycloa ...
The first part of this work deals with oxidative addition reactions of the triangulo platinum cluster [Pt3(μ-CO)3(PCy3)3]. Reactions with the electrophilic molecules ICH2CN and X2 (X = I and Br) and with the weakly polar reagent Ph3SnH have been studied. A ...
As observed by variable-temperature and -pressure C-13 NMR, intramolecular carbonyl scrambling in Ir2Rh2(CO)(12) and Ir-4(CO)(11)(mu-SO2) proceeds via a 'change of basal face' mechanism. In both cases the site exchange process has a positive activation vol ...