There have been a number of recent experimental investigations of the nonadiabatic relaxation dynamics of aniline following excitation to the first three singlet excited states, 1(1)ππ*, 1(1)π3s/πσ* and 2(1)ππ*. Motivated by differences between the interpretations of experimental observations, we have employed CASSCF and XMCQDPT2 calculations to explore the potential energy landscape and relaxa...

Historically, Hammett constants have been extremely effective in describing the influence of substituents on chemical reactivity and other physical and chemical properties, whereas variables derived from quantum chemical calculations have generally been less effective. Taking the experimental pK(a)s of substituted anilines as a representative physicochemical property, five ab initio quantum che...

A reduction in the survival of Salmonella typhimurium TA 1530 was observed when the bacteria were incubated with aflatoxin B¡,rat liver microsomes, and a reduced nicotinamide adenine dinucleotide phosphate-generating system. The lethality appeared to depend on the formation of a metabolite of aflatoxin B] by a mixed-function oxygenase system. The killing was very rapid; only 1% of the bacteria...

Metal—Polyaniline nanocomposites such as Platinum-Polyaniline nanocomposite is prepared by insitu oxidative polymerization of aniline and reduction of Pt+4 ions into Pt nanoparticles. Thepolymerization of aniline was carried out in the presence of 1(2PtCN6 [Potassium Hexa CyanoPlatinate (IV)] as oxidizing agent. During the reaction aniline monomers undergo oxidation andform polyaniline (PANT) w...

A reduction in the survival of Salmonella typhimurium TA 1530 was observed when the bacteria were incubated with aflatoxin B¡,rat liver microsomes, and a reduced nicotinamide adenine dinucleotide phosphate-generating system. The lethality appeared to depend on the formation of a metabolite of aflatoxin B] by a mixed-function oxygenase system. The killing was very rapid; only 1% of the bacteria...

the present study aims at indicating the existence and uniqueness result of system in extended colombeaualgebra. the caputo fractional derivative is used for solving the system of odes. in addition, rieszfractional derivative of colombeau generalized algebra is considered. the purpose of introducing rieszfractional derivative is regularizing it in colombeau sense. we also give a solution to a n...