Sentence examples for atoms are given from inspiring English sources

The InChI algorithm supports perception of stereochemistry for both 2D (x,y-coordinates of atoms are given; planar depiction) and 3D (x,y,z-coordinates of atoms are given) cases.

The list of bond lengths and bond angles of the non-hydrogen atoms are given in Table 3.

Partial charges on O and H atoms are given respectively by q O = - 0.8476  e and q H = 0.4238  e, which corresponds to SPC/E water model [9].

The coordinates for the smaller model and the numbers of the fixed atoms are given in the Supporting Information.

The In–In pair distribution functions calculated separately for edge-shared and corner-shared In atoms are given in Figure 11a.

A conventional approach to carry out NMA is to consider atoms in a biomolecule as classical point masses, where interaction energy terms between all atoms are given by a molecular mechanics (MM -based potential energy function, "force-field".

Nor is it certain which atoms are giving off the gamma rays.

In 1, the interactions initiated by the donor NBOs like σC1 C2, σC3 C4, πN C and NBOs due to lone pairs of N atoms are giving substantial stabilization to the structures in the both MP2 and B3LYP methods.

The numbering of the atoms in carborane compounds begins with the apex atom of lowest coordination (i.e., with the fewest bonds), and polyhedral vertex atoms are numbered in a clockwise direction with the carbon atoms being given the lowest possible numbers.

The interaction among Cu atoms is given by EAM potential which is shown as Eqs.

The 6-12 Lennard-Jones potential V [20] for two non-bonded atoms is given by (1).