Application of discrete solvent reaction field model with self-consistent atomic charges and atomic polarizabilities to calculate the χ(1) and χ(2) of organic molecular crystals
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.10.036
Abstract: Abstract We use the discrete solvent reaction field model to evaluate the linear and second-order nonlinear optical susceptibilities of 3-methyl-4-nitropyridine-1-oxyde crystal. In this approach, crystal environment is created by supercell architecture. A self-consistent procedure is… read more here.
Keywords: reaction field; solvent reaction; discrete solvent; self consistent ... See more keywords
Solvation Reaction Field at the Interface Measured by Vibrational Sum Frequency Generation Spectroscopy.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.6b11940
Abstract: Interfacial electric fields are important in several areas of chemistry, materials sciences, and device physics. However, they are poorly understood, partly because they are difficult to measure directly and model accurately. We present both a… read more here.
Keywords: frequency; model; reaction field; spectroscopy ... See more keywords
Reaction field-dependent spin-correlated radical pair model: A new insight into liposomal drug-delivery system
Sign Up to like & getrecommendations! Published in 2020 at "AIP Advances"
DOI: 10.1063/1.5130189
Abstract: This work was focused on new drug-release potentials associated with phospholipid-bilayer structures and magnetic field effects, as it were, a liposomal nanoparticle model with reaction field-dependent spin-correlated radical pair mechanisms. The release potentials were evaluated… read more here.
Keywords: reaction field; field; field dependent; dependent spin ... See more keywords
Design Guidelines and Scaling Effects for Bearingless PM Synchronous Machines Accounting for Eddy Current Reaction Field
Sign Up to like & getrecommendations! Published in 2021 at "IEEE Transactions on Industry Applications"
DOI: 10.1109/tia.2021.3083673
Abstract: Apart from mechanical constraints, the maximum size and output power of high-speed bearingless PM synchronous machines is mainly limited by two effects with disturbing influence on the bearing force vector. One is the interference between… read more here.
Keywords: bearingless synchronous; field; current reaction; eddy current ... See more keywords