相关论文: Solvent Effects on the Menshutkin Reaction
The study of the structural behaviour of pure and multi-component lipids at various temperatures and the interaction of these multi-component lipids with pharmaceutically important drugs carry huge importance. Here, we investigated the…
The autoignition delays of mixtures of methyl-cyclohexane (MCH), oxygen, nitrogen, and argon have been studied in a heated rapid compression machine under the conditions $P_C$ = 50 bar, $T_C$ = 690 - 910K. Three different mixture…
$ $An experiment has been carried out for studying the cluster structure of $^9$Be induced by the $^3$He ions at the energy of 30 MeV. As results of the nuclear reaction $^3$He + $^9$Be the differential cross sections for the exit channels…
A hybrid mesoscopic multi-particle collision model is used to study diffusion-influenced reaction kinetics. The mesoscopic particle dynamics conserves mass, momentum and energy so that hydrodynamic effects are fully taken into account.…
The coexistence curves of liquid-liquid equilibrium (LLE) for the mixtures: phenylacetonitrile + heptane, + octane, + nonane, + cyclooctane, or + 2,2,4-trimethylpentane and for 3-phenylpropionitrile + heptane, or + octane are reported.…
Methanol is formed via surface reactions on icy dust grains. Methanol is also detected in the gas-phase at temperatures below its thermal desorption temperature and at levels higher than can be explained by pure gas-phase chemistry. The…
Mixtures of sulfoxides with molecular solvents possess interesting physical-chemical properties and may have applications in chemical synthesis. Hereby we confirm and rationalize the previously reported excellent miscibility of diethyl…
Oxygen atom addition and insertion reactions may provide a pathway to chemical complexity in ices that are too cold for radicals to diffuse and react. We have studied the ice-phase reactions of photo-produced oxygen atoms with C2…
Understanding the atomic level interactions and the resulting structural characteristics is required for developing beta-cyclodextrin ($\beta$CD) derivatives for pharmaceutical and other applications. The effect of four different solvents…
Deuterated molecules are important chemical tracers of prestellar and protostellar cores. Up to now, the titular reaction has been assumed to contribute to the generation of these deuterated molecules. We have measured the merged-beams rate…
On the basis of a gaussian quasi-chemical model of hydration, a model of non van der Waals character, we explore the role of attractive methane-water interactions in the hydration of methane and in the potential of mean force between two…
Liquid-liquid equilibria phase diagrams have been determined for the systems: 2-methoxyphenol + n-decane, or + n-dodecane, or + n-tetradecane or + n-hexadecane and for 2-ethoxyphenol + n-octane, or + n-dodecane, or + n-tetradecane, or +…
The multinucleon transfer (MNT) reaction approach was successfully employed for the first time to measure the isomeric ratios (IRs) of $^{211}$Po (25/2$^+$) isomer and its (9/2$^+$) ground state at the IGISOL facility using a 945 MeV…
Machine-learned potential energy surfaces (PESs) for molecules with more than 10 atoms are typically forced to use lower-level electronic structure methods such as density functional theory and second-order Moller-Plesset perturbation…
Hydrogenation reactions of CO in inter- and circumstellar ices are regarded as an important starting point in the formation of more complex species. Previous laboratory measurements by two groups on the hydrogenation of CO ices resulted in…
We report viscous flow properties of a redox-active organic molecule, N-(2-(2-methoxyethoxy)ethyl)phenothiazine (MEEPT), a candidate for non-aqueous redox flow batteries, and two of its radical cation salts. A microfluidic viscometer…
Considering the density-density correlation function of a concentrated polymer solution with multicomponent solvent we find a phase transition due to the heterogeneity of excluded volume constant. This new phase transition implies a strong…
The nature of the CH2Cl2 neutral/acidic hydrolysis reaction from ambient to supercritical conditions (25 C to 600 C at 246 bar) is explored. Of primary interest is the effect of the changing dielectric behavior of the water solvent over…
Fission in 3He and 4He induced reactions at excitation energies between the fission barrier and 140 MeV has been investigated. Twentythree fission excitation functions of various compound nuclei in different mass regions are shown to scale…
Quantum chemistry provides accurate and reliable methods to investigate reaction pathways of reactive molecular systems relevant to the interstellar medium. However, the exhaustive exploration of a reactive network is often a daunting task,…