LC functional

McGee MR Li LC. Functional difference between intrinsic and extrinsic coagulation pathways. Kinetics of factor X activation on human monocytes and alveolar macrophages, J Biol Chem 1991 266 8079-8085. 

Fig. 20.8. Errors in calculated atomization energies of the first-row transition metal dimers for LC functionals (LC-BOP and LC-PBEOP), pure functionals (BOP and PBEOP), and B3LYP in eV. The line of no-error is also illustrated.

Simj)lc functions describe both the energy levels and orbital coefficients for these acyclic systems. The energy of tlic /ih. MO for a system with jV/ 7T orbitals is given by... 

Rode F, Svalp J, Sheykhzade M, R0nn LC. Functional effects of the KCNQ modulators retigabine and XE991 in the rat urinary bladder. Eur J Pharmacol 2010 638 (1-3) 121-7. 

Fig. 3 Dissociation potential energy curves of argon dimer calculated with (a) various pure and long-range corrected (LC) functionals and (b) LC functionals combined with ALL dispersion functional. The curves of CCSD(T) and other dispersion-corrected DPT are also shown for comparison...

Figure A2.2.1. Heat capacity of a two-state system as a function of the dimensionless temperature, lc T/([iH). From the partition fimction, one also finds the Helmholtz free energy as...

Let us now obtain a complete system of boundary conditions fulfilled at Lc provided that the simplified nonpenetration condition (3.185) holds. We assume the solution x G iX is smooth enough and use Green s formulas for smooth functions (see Section 1.4),... 

By the trace theorems of Section 1.4, smooth enough = ( i, 2, 3), Vy with compact supports in rc 9rc define a function % = W, w) from H flc) such that equalities (3.193) take place at the boundary Lc. Thus, (3.192) implies... 

Let C be a bounded domain with the smooth boundary L, which has an inside smooth curve Lc without self-intersections. We denote flc = fl Tc. Let n = (ni,ri2) be a unit normal vector at L, and n = ( 1,1 2) be a unit normal vector at Lc, which defines a positive and a negative surface of the crack. We assume that there exists a closed continuation S of Lc dividing fl into two domains the domain fl with the outside normal n at S, and the domain 12+ with the outside normal —n at S (see Section 1.4). By doing so, for a smooth function w in flc, we define the traces of w at boundaries 912+ and, in particular, the traces w+ and the jump [w] = w+ — w at Lc. Let us consider the bilinear form... 

The impact that a silver compound has in water is a function of the free or weaMy complexed silver ion concentration generated by that compound, not the total silver concentration (3—5,27,40—42). In a standardized, acute aquatic bioassay, fathead minnows were exposed to various concentrations of silver compounds for a 96-h period and the concentration of total silver lethal to half of the exposed population (96-h LC q) deterrnined. For silver nitrate, the value obtained was 16 )-lg/L. For silver sulfide and silver thiosulfate complexes, the values were >240 and >280 mg/L, respectively, the highest concentrations tested (27). 

The brush-type (Pirkle-type) CSPs have been used predominantly under normal phase conditions in LC. The chiral selector typically incorporates tt-acidic and/or n-basic functionality, and the chiral interactions between the analyte and the CSP include dipole-dipole interactions, n-n interactions, hydrogen bonding, and steric hindrance. The concept of reciprocity has been used to facilitate the rational design of chiral selectors having the desired selectivity [45]. 

This relatively new class of CSPs incorporates glycopeptides attached covalently to silica gel. These CSPs can be used in the normal phase, reversed phase, and polar organic modes in LC [62]. Various functional groups on the macrocyclic antibiotic molecule provide opportunities for tt-tt complexation, hydrogen bonding, and steric interactions between the analyte and the chiral selector. Association of the analyte... 

Although freeze-fracture experiments have demonstrated that monomers are assembled into stable tetramers in the membranes, radiation inactivation studies and, later, expression studies revealed that each monomer is a functional water channel (Fig. lc). 

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