To study a chemical reaction using the PES as a function of atomic positions, it is necessary to calculate the energy for every atomic arrangement of interest.
12.
Other papers were of a more theoretical nature, such as Thomas Pollock s On the Connection between the Atomic Arrangement and the Conducting power of Bodies .
13.
However, it is not as well-suited as monochromatic scattering for determining the full atomic structure of a crystal and therefore works better with crystals with relatively simple atomic arrangements.
14.
Researchers have found that the mineral, which has the same atomic arrangement as a man-made component of some types of concrete, forms under low pressure at a temperature of at least.
15.
Nanomaterials are important but establishing their structure ( atomic arrangement ) is difficult because the breakdown of long range order due to the confined dimensions negates the use of conventional crystallographic methods.
16.
Methods of calculating the energy of a particular atomic arrangement of atoms are well described in the computational chemistry article, and the emphasis here will be on finding approximations of to yield fine-grained energy-position information.
17.
Microscopically simple, but structurally exceedingly complex in their atomic arrangements, their fantastic diversity and biochemical ingenuity is mediated by thousands of intricate macromolecular machines whose three-dimensional structure and interactions are revealed only by X-ray crystallography.
18.
In general, the " g " factor is not a principal axes of this tensor are determined by the local fields, for example, by the local atomic arrangement around the unpaired spin in a solid or in a molecule.
19.
Applications in the field of solid state physics include ( a ) the identification of atoms at a surface, ( b ) the evaluation of interactions between a specific atom and its neighboring atoms, and ( c ) the study of changes in physical properties arising from changes in an atomic arrangement through atomic manipulation.
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