相关论文: Solvent Effects on the Menshutkin Reaction
We report new measurements of the total cross section for the 3H(p,n)3He reaction from threshold (Ep=1.02 MeV) to Ep=4.5 MeV. The experiment utilized specially prepared Ti-3H targets, and neutrons were detected using a 4-pi detector. A weak…
We discuss the effects of the solvent composition on the helix-coil transition of a polypeptide chain. We use a simple model to demonstrate that improving the hydrogen-bonding ability of the solvent can make the transition less cooperative,…
Event-driven molecular dynamics simulations are carried out on two rigid body systems which differ in the symmetry of their molecular mass distributions. First, simulations of methane in which the molecules interact via discontinuous…
The electronically excited states of methylene (CH$_2$), ethylene (C$_2$H$_4$), butadiene (C$_4$H$_6$), hexatriene (C$_6$H$_8$), and ozone (O$_3$) have long proven challenging due to their complex mixtures of static and dynamic…
To assess the potential of cold-fusion for synthesizing superheavy nuclei (SHN) with proton numbers 104-113, we systematically calculated 145 naturally occurring projectile-target combinations within the DNS model. Reactions predominantly…
We report experimental evidence for a crossover between a liquid-like state and a gas-like state in fluid methane (CH4). This crossover is observed in all of our experiments, up to 397 K temperature; 2.1 times the critical temperature of…
Understanding of the so-called 2 particle-2 hole (2p-2h) effect is an urgent program in neutrino interaction physics for current and future oscillation experiments. Such processes are believed to be responsible for the event excesses…
The structure and interactions in electrolytes at high concentration have implications from energy storage to biomolecular interactions. However many experimental observations are yet to be explained in these mixtures, which are far beyond…
We investigate the solvation of methane and methane decorated with charges in spherically confined water droplets. Free energy profiles for a single methane molecule in droplets, ranging in diameter D, from 1 to 4 nm, show that the droplet…
Plasma kinetics of molecular hydrogen in the electrical discharge in Ar/CH3OH/H2O mixture is theoretically investigated for the first time. It is researched the dependence of [H2] on the breakdown field, the discharge power, solution…
Methane pyrolysis provides a scalable alternative to conventional hydrogen production methods, avoiding greenhouse gas emissions. However, high operating temperatures limit economic feasibility on an industrial scale. A major scientific…
Radical recombination has been proposed to lead to the formation of complex organic molecules (COMs) in CO-rich ices in the early stages of star formation. These COMs can then undergo hydrogen addition and abstraction reactions leading to a…
We perform ab initio density functional calculations to study the flow of water, methanol and dimethyl ether through nanotubes of carbon and boron nitride with different diameters and chiralities. The liquids we choose are important…
The feasibility of contemporary gas-grain astrochemical models depends on the availability of accurate kinetics data, in particular, for surface processes. We study the sensitivity of gas-grain chemical models to the energy barrier Ea of…
Globally accurate full-dimensional ground state potential energy surface (PES) for the Cl($^2$P) + XCl $\to$ HCl + Cl($^2$P) reaction, a prototypical heavy-light-heavy abstract reaction, is developed using permutation invariant polynomial…
A high-resolution calorimetric study has been carried out on nano-colloidal dispersions of aerosils in the liquid crystal 4-\textit{n}-pentylphenylthiol-4'-\textit{n}-octyloxybenzoate ($\bar{8}$S5) as a function of aerosil concentration and…
This tutorial is devoted to the understanding of the different components that are present in the neutron light output pulse height distribution of liquid scintillators in fusion relevant energy ranges. The basic mechanisms for the…
Significant influence of aerogel surface heterogeneity on the processes of 3He nuclear magnetic relaxation at temperatures 1.5 - 4.2 K is discovered. This influence appears, for instance, in differences of 3He T1 relaxation times for small…
Astrochemical surface reactions are thought to be responsible for the formation of complex organic molecules, which are of potential importance for the origin of life. In a situation, when the chemical composition of dust surfaces is not…
Densities ($\rho$), speeds of sound ($c$), relative permittivities at 1 MHz ($\varepsilon_{\text{r}}$) and refractive indices at the sodium D-line ($n_{\text{D}}$) at $T$ = (293.15 K to 303.15 K) and $p$ = 0.1 MPa are reported for binary…