Related papers: Temperature and pH driven association in uranyl aq…
The influence of water and radicals on SOAs produced by {\beta}-pinene ozonolysis was investigated at 298 and 288 K using a laminar flow reactor. A volatility tandem differential mobility analyzer (VTDMA) was used to measure the evaporation…
A combined experimental/theoretical approach has been used to investigate the role of water in modifying the microscopic interactions characterizing the optical response of butyl-ammonium nitrate (BAN) water solutions. Raman spectra,…
Molecular dynamics simulations are performed to study the temperature-dependent dynamics and structures of the hydration shells of elastin-like and collagen-like peptides. For both model peptides, it is consistently observed that, upon…
We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. They include the temperature-pressure(density) dependence of…
Antagonistic salts are salts which consist of hydrophilic and hydrophobic ions. In a binary mixture of water and organic solvent, these ions preferentially dissolve into different phases. We investigate the effect of an antagonistic salt,…
Neutralization probabilities are presented for hyperthermal energy Na+ ions scattered from a Cu(001) crystal as a function of surface temperature and scattered velocity. A large enhancement in neutralization is observed as the temperature…
Sympathetic cooling of trapped ions has become an indispensable tool for quantum information processing and precision spectroscopy. In the simplest situation a single Doppler-cooled ion sympathetically cools another ion which typically has…
In this work, we consider the thermal correction to the hyperfine interaction in hydrogen, deuterium, and the $^3$He$^+$ ion. This correction is effectively described by one-loop Feynman graphs in the framework of the quantum…
Interaction non-additivity in the chemical context means that binding of certain atom to a reference atom cannot be fully predicted from the interactions of these two atoms with other atoms. This constitutes one of key phenomena determining…
Hybrid QM(DFT)/MM molecular dynamics simulations have been carried out for the Watson-Crick base pair of 9-ethyl-8-phenyladenine and 1-cyclohexyluracil in deuterochloroform solution at room temperature. Trajectories are analyzed putting…
Thermal expansion, electrical resistivity, magnetization, and specific heat measurements were performed on URu$_{2-x}$Fe$_{x}$Si$_{2}$ single crystals for various values of the Fe concentration $x$ in both the hidden order (HO) and large…
A model in which a projectile like fragment can be simply regarded as a remnant after removal of some part of the projectile leads to an excited fragment. This excitation energy can be calculated with a Hamiltonian that gives correct…
We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe…
It has been extensively demonstrated through first principles quantum mechanics calculations that water exhibits strong hydrogen bond cooperativity. Classical molecular simulation and statistical mechanics methods typically assume pairwise…
We study correlations of the temperature ratio (which is an indicator for perpendicular ion heating) and the differential flow of the alpha particles with the power of transverse fluctuations that have wave numbers between 0.01 and 0.1…
Bonding between polymers below the glass transition temperature through molecular-scale dilatation (or densification)-based interdiffusion of macromolecules has recently been introduced. In this mechanism, short timeframe plastic…
The model glass-former glycerol and its aqueous mixtures were investigated with terahertz-time domain spectroscopy (THz-TDS) in the frequency range of 0.3--3.0\,THz at temperatures from 80--305\,K. It was shown that the infrared absorption…
We have investigated the partitioning of U between silicate melt and Fe liquid at pressures of 3.0 to14.5 GPa and temperatures of 1660 to 2500 oC. The solubility of U in liquid Fe is in the range of 0.6 to 800 ppm and increases with…
Recent results have shown the presence and importance of oxygen chemistry during the growth of aromatic compounds, leading to the formation of oxygenated structures that have been identified in various environments. Since the formation of…
Recent work has shown that ions are strongly coupled in atmospheric pressure plasmas when the ionization fraction is sufficiently large, leading to a temperature increase from disorder-induced heating that is not accounted for in standard…