Sentence examples for by summing the atomic from inspiring English sources
It is calculated in practice by summing the atomic weights of the atoms making up the substance's molecular formula.
The cutting forces in the MD simulations are obtained by summing the atomic forces of all the workpiece atoms on the tool atoms.
The imprint force in the MD simulation was obtained by summing the atomic forces of the substrate atoms on the X–Z plane of the mold atoms (the X-axis is the direction of the substrate movement and the Z-axis is the vertical direction).
It can be a property when measured for molecules, e.g. in MS spectrometry or even when we are weighting a mole, i.e. the Avogadro number of the molecules or its fraction, but alternatively it can also be a descriptor when we are estimating the MW of a single molecule simply by summing the atomic mass contributions to the total MW.
MATS2m (Moran autocorrelation− lag 2/weighted by atomic masses) and ATS2m (broto-moreau autocorrelation of a topological structure- log2/weighted by atomic masses) are 2D autocorrelation descriptors [34], which are also obtained from molecular graphs, by summing the products of atom weights of the terminal atoms of all the paths of the considered path length (the lag).
In Pathway Hunter Tool (PHT) [23], chemical fingerprints are included in the metabolite mapping scoring function, which is calculated by summing the calculated chemical similarity score and percentage atomic mass contribution.
O i can be determined by summing over the product of an atomic volume parameter (V j ) representing the fragmental volume of the other atoms and a suitable envelope function, E(r ij ), with respect to the distance between the centers of atoms i and j.
These can be readily calculated by summing products of terms including the atomic weights for the terminal atoms in all of the paths of a prescribed length.
Thus, polarization is the energy obtained by summing at each point the interaction between the electric field of one molecule and the local field induced dipole of the other which depends on the molecular (or atomic) polarizability.
In the case of small atomic aggregates, for which it is not proper to consider a three-dimensional structure, we set μ(V) = 0 and assimilate them to cylinders one layer high, and perimeter determined by imposing conservation of the total atomic volume (sum of the atomic volumes of the atoms composing the 2D aggregate).
The size of a molecule is measured by its molecular weight, which is equal to the sum of the atomic weights of all the atoms that make up the molecule.
