this paper critically reviews studies that have interpretively invoked communication accommodation theory (cat) for the study of patient-provider interaction. cat’s sociolinguistic strategies—approximation, interpretability, interpersonal control, discourse management, and emotional expression—are succinctly introduced and their use in studies of patient-provider interaction discussed. the majo...

Ionic species often play important roles in chemical reactions occurring in water and other solvents, but it has been elusive to determine the solvent-dependent molecular structure with atomic resolution. The triiodide ion has a molecular structure that sensitively changes depending on the type of solvent and its symmetry can be broken by strong solute-solvent interaction. Here, by applying pum...

The ion-pair association constant values, related to the reaction +  were determined by means of the NMR spectroscopy. The values of the thermodynamic functions of the ion pairing process were calculated on the basis of the NMR results. In addition, the association entropy was found to be dependent on the temperature. Comparing the experimental data and the Fuoss theory it is found that  ion-pa...

In this article, theoretical studies on the selective complexation of the halide ions (F¯, Cl¯ and Br¯) and ion pairs (Na+F¯, Na+Cl¯ and Na+Br¯) with the cyclic nano-hexapeptide (CP) composed of L-proline have been performed in the gas phase. In order to calculate the dispersion interaction energies of the CP and ions, DFT-D3 calculations at the M05-2X-D3/6-31G(d) level was employed. Based on t...

the major foible of dental ceramics is their brittle nature. therefore, the producers of these materials have focused on the “strength” issue. a method of increasing strength is ion exchange on porcelain surface which leads to formation of a compressive crust that opposing forces should overcome before developing a crack. in current study, ion exchange in two types of porcelain, ceramco ii whic...

The nature and origin of ion-p and ion-r interactions has been systematically investigated using dispersion-corrected density functional theory and the recently developed noncovalent interaction (NCI) method. A detailed analysis of these interactions is performed with the aim to identify the requirements that have to be fulfilled by the molecular system for strong ion-ligand interactions. Inter...

Vapor-liquid equilibrium in NH3-CO2-H2O system at high pressures has been studied. The UNIQUAC-NRF model for this system was extended by using the Goppert 4 maurer reported datas. Since the system contains molecules and ionic species the binary interaction parameters considered, where those are of molecule-molecule, molecule-ion and ion-ion types. These interaction parameters are taken as c...

Ion molecules with general chemical formula as [Li(H2O)] (n=1,2,3), have been chosen as model species toinvestigate the chemical properties of hydrated lithium cations. The RHF(SCVS)/UGBS level of calculationhas been used for obtaining equilibrium geometries and Rho(r) functions (electron density distributions). By theaid of fundamental physical theorems implemented in Quantum Theory of Atoms i...

the ion-pair association constant values, related to the reaction +  were determined by means of the nmr spectroscopy. the values of the thermodynamic functions of the ion pairing process were calculated on the basis of the nmr results. in addition, the association entropy was found to be dependent on the temperature. comparing the experimental data and the fuoss theory it is found that  ion-pa...

In this research, IR and frontier molecular orbital (FMO) computations were employed for investigating the performance of B12N12 as a novel recognition element for fabrication of quetiapine thermal and electrochemical sensors. All of the computations were done by density functional theory method in the B3LYP/6-31G(d) level of theory and in the aqueous ph...