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The number of groups that can accept hydrogen atoms to form hydrogen bonds (estimated by the sum of oxygen and nitrogen atoms) is less than 10.
A conflict is detected when the distance between two atoms is less than 0.4 Å.
if the number of hydrophobic atoms is less or equal to 21: then the compound would be selective for BCRP (class 2).
The {111} face being cation anion unmixed and without such chain, yet with close-packed oxygen atoms, is less stable for the present magnetite.
The Au droplet on top of SiNW is reconstructed, and the core concentration of Au atoms is less than 5 ± 0.5 × 1017 at./cm3./cm3
If the E ele between two atoms is less than zero, it will be added into the electrostatic attractive potentials, and otherwise added into the electrostatic repulsive potentials.
Similar(47)
Mechanical oscillators have been made from silicon at dimensions of 10 × 100 nanometres, where more than 10percentt of the atoms are less than one atomic distance from the surface.
Therefore, the α-hydrogen atoms are less positively charged in the ethanol dication than in the methanol dication, as evident in the Mulliken population analysis of doubly-charged ethanol (Supplementary Fig. 11).
Moreover, if the attached atoms are less electronegative than the carbon atom, this can also lead to an increase in the singlet-triplet energy gap, and thus to further stabilization of the triplet state.
Atomic relaxation was stopped when the forces on atoms were less than 0.01eV/Å.
The final forces on the atoms are less than 0.01 eV/Å.
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CEO of Professional Science Editing for Scientists @ prosciediting.com