Calculator roots

Comparisons between optimized and X-ray structures were once again made by calculating root-mean-square (RMS) deviations. When comparing all heavy atoms in the protein, the total RMS deviation is approximately 1.7 A, irrespective of method for the model system or the ONIOM implementation (mechanical, ONIOM-ME, or electronic embedding, ONIOM-EE). The largest deviations occur for residues in the vicinity of the second monomer. Therefore, adding the second monomer to the model should improve the calculated geometries. 

In soils of agroecosystems, above ground biomass (foliar) uptake and metal cycling by mineralization and total root uptake can be lumped into a net removal term due to harvest (indicated as growth uptake, Mgu) when the critical load is calculated for the root zone, e.g., for upper 20-30 cm. In this situation we can calculate root uptake as a function of the growth uptake, whereas the net effect of litterfall and foliar uptake is assumed to be negligible. 

The calculated root-mean-square displacement for a general sequence of jumps has two terms in Eq. 7.31. The first term, NT(r2), corresponds to an ideal random walk (see Eq. 7.47) and the second term arises from possible correlation effects when successive jumps do not occur completely at random. 

Equations (4) through (7) produce more reliable estimates of Kow and S for hydrophobic dyes than other methods. Isnard and Lambert (1989) calculated root mean square deviations for a dataset of 20 disperse and solvent dyes, using a number of available equations They showed that equations in the form of Equation (4) had root mean square deviations (a) values of 1.6 to 3.3 log Kow units, regressions in the form of equations (6) and (7) gave c values ranging from 1.3 to 3.3, and equations similar to Equation (5) had root mean square deviations ranging from 0.57 to 1.4. 

Use the Maxwell-Boltzmann distribution of molecular speeds to calculate root-mean-square, most probable, and average speeds of molecules in a gas (Section 9.5, Problems 41-44). 

When calculating root-mean-sqnare speed, remember that the molar mass must be in nnits of kg/mol. 

The structure of the program follows (see Program 5, page 121). The subroutine JCOBI calculates roots and derivatives of the polynomial. The subroutine DFOPR calculates parameters Ai j and Bij associated with these roots. The subroutine FUN supplies information about the differential equations F is the vector on the right-hand side of Eq. (89). The subroutine OUT is the output subroutine. The latter two subroutines are supplied to DFOPR from the IMSL library, which solves a system of first-order differential equations with given initial conditions. The p optimization is included in this program theory behind P is detailed else-where. ... 

Fig. 6.6. The DMRG calculated root-mean-square particle-hole separations, rp (eqn (6.26)) in units of the molecular repeat distance, for 102 sites, t = 2.5 eV, U = 3.33 eV, and 6 = 0.2. p B states (squares) and states (circles). The molecular...

There are three statistics often employed for comparing the performances of multivariate calibration models root mean squared error of calibration (RMSEC), root mean squared error of cross validation (RMSECV), and root mean squared error of prediction (RMSEP). All three methods are based on the calculated root mean squared error (RMSE)... 

STRATEGIZE The conceptual plan for this problem shows how you can nse the molar mass of oxygen and the tanperature (in kelvins) with the equation that defines the root mean square velocity to calculate root mean square velocity. 

Substitute the quantities into the equation to calculate root mean square velocity. Note that 1 J = 1 kg m /s. ... 

Cubic Equation Calculator This program calculates roots of a cubic equation using floating point arithmetic implemented in software. 

Listing 3.3 Example of calculation roots using the successive substitution (ssrootO) function. 

---