Mixing exchange functionals

D Integrated Total Systems with Micro Mixing and Micro Heat Exchange Functions... 

Ion exchange resins based on poly(styrene-divinylbenzene) backbones display mixed mode retention mechanisms. The ion exchange functionality (sulfonic acid or carboxylic acid for cation exchangers and quartemary or primary, secondary, or tertiary amines for anion exchangers) contributes to the ionic mechanism and the backbone polymer to hydrophobic retention. This is exemplified... 

Mixed-mode sorbents contain both nonpolar and strong ion (cation and/or anion) exchange functional groups, targeted for the extraction of basic drugs. 

The idea of mixing density functional approximations with exact (Hartree-Fock-Uke) exchange rests on theoretical considerations involving the adiabatic connection formula... 

The applications of cosmogenic isotopes as tracers depend on three principal factors (1) their source function (2) their half-lives and (3) their chemical properties. These considerations decide how the fractional inventories of different tracers are distributed on the earth in the atmosphere, hydrosphere, and the sediments. The work of Lai and Peters, using simplified models for the pathways of the isotopes considering six mixing/exchange reservoirs is still quite instructive. These estimates of fractional inventories of 14 isotopes amongst these reservoirs are shown in Table 4. 

We shall now examine the performance of hybrid exchange functionals in describing the electronic, structural and magnetic properties of two rock-salt-structured transition metal monoxides, namely MnO and NiO. At variance with the work described in the previous sections, modification of the hybrid functionals within a selected F-XC series has been accomplished here by smaller steps of the mixing coefficient a (of 10%, or sometimes even 5%) even small modifications in the Hamiltonian can cause a change of the ground electronic state, which has dramatic effects on the calculated properties. We need therefore to characterise the boundaries in the behaviour... 

The B3LYP hybrid functional (Becke 1993), the first hybrid functional, is the most frequently used functional (or method) in all functionals (or all theories) in quantum chemistry calculations. This functional uses three parameters as the mixing ratios to form the adiabatic connections between the Hartree-Fock exchange integral and the LDA exchange functional and between the LYP-GGA correlation functional and the LDA correlation functional, and to combine with the attenuated GGA term of the B88 exchange functional. 

The most widely used sorbents with their characteristics are presented in Table 4. Mixed-mode columns containing mixtures of nonpolar (Cg, Cig, C4, etc.) and strong anion or/and strong cation exchange functional groups are available for applications for both acidic and basic compounds. These columns are designed to capitalize on multiple interactions of the analyte or different types of interactions from more than one type of analyte. Mixed-mode columns allow the development of more robust procedures, which are less dependent on the matrix, making cleaner extracts possible. 

---