Nanocasting is a powerful method for creating materials that are more difficult to synthesize
by conventional processes. We summarize recent developments in the synthesis of various …

A hydrogen bond for a local-minimum-energy structure can be identified according to the
definition of the International Union of Pure and Applied Chemistry (IUPAC recommendation …

A reliable theoreticaltreatment of chemical processes which occur in aqueous solution
requires accurate methods for calcu-lating solvation free energies. A number of theoretical …

A new derivation of the GLYCAM06 force field, which removes its previous specificity for
carbohydrates, and its dependency on the AMBER force field and parameters, is presented …

It is generally acknowledged that information about carbohydrate conformation is important
for the understanding of interaction between carbohydrates and other biomolecules, such as …

A new parametrization of the Langevin dipole (LD) model is developed for ab initio
calculations of chemical processes in aqueous solution. This parametrization is …

Ab initio and density functional methods have been employed to study the structure, stability,
and spectral properties of various ethylene glycol (EG m) and ethylene glycol–water (EG m …

Vapor phase OH-stretching overtone spectra of ethylene glycol were recorded to investigate
weak intramolecular hydrogen bonding. The spectra were recorded with conventional …

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectra of ethylene glycol–
water (abbreviated as EG–H 2 O) mixtures were measured at 298 K with the ethylene glycol …

This paper describes a comparative molecular dynamics (MD) simulation study of the local
structure of pure liquid ethylene glycol (EG), ethylenediamine (ED), and 2-aminoethanol …