Sentence examples for atomic properties from inspiring English sources

Atom weightings (atomic properties) (1) atomic mass (M), (2) the Van der Waals volume (V), (3) the atomic polarizability (P), (4) atomic electronegativity according to Pauling scale (E), (5) atomic Ghose Crippen LogP (A), (6) atomic Gasteiger Marsili charge (C), (7) atomic polar surface area (PSA), (8) atomic refractivity (R), (9) atomic hardness (H), and (10) atomic softness (S).

Atomic properties 2. 10 atom weighting schemes   2.

Each atom is given one of eight atom types computed from three atomic properties (in pi system, is donor, is acceptor).

The integrated atomic properties for the hydrogen atoms of the X-H...Y H-bond and the difference of the properties between the complexes and parent molecule are collected in Table 6.

The same approach is used to identify the atom within the molecule to which the calculated atomic properties belong.

Here he follows Gassendi's thought most closely in admitting atoms to his ontology, nearly replicating Gassendi's list of atomic properties, proposing that atomic structures yield chemical bonds that account for the structures of larger bodies, and endorsing the Gassendist notion of light as flowing in a stream of atoms (in opposition to the Cartesian wave theory promoted by Hooke and Huygens).

The volume itself can be colored by atomic properties enabling the use of various similarity scores, like shape-, atypetype or pharmacophore type similarity.

Table 2 lists selected atomic properties including electrostatic potential (ESP) partial charges on the amino nitrogen atoms and the exposed area on the nitrogen atoms for these diamines.

Descriptor features comprise of various combinations of these atomic properties.

Atomic properties are inferred mostly by the use of indirect experiments.

Davie, S. J., Di Pasquale, N. & Popelier, P. L. Kriging atomic properties with a variable number of inputs.