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The polar surface area (PSA) or topological polar surface area (TPSA) of a molecule is defined as the surface sum over all polar atoms or molecules, primarily oxygen and nitrogen, also including their attached hydrogen atoms. PSA is a commonly used medicinal chemistry metric for the
In a tetrahedral molecular geometry, a central atom is located at the center with four substituents that are located at the corners of a tetrahedron.The bond angles are arccos(− 1 / 3 ) = 109.4712206...° ≈ 109.5° when all four substituents are the same, as in methane (CH 4) [1] [2] as well as its heavier analogues.
Points in the polar coordinate system with pole O and polar axis L. In green, the point with radial coordinate 3 and angular coordinate 60 degrees or (3, 60°). In blue, the point (4, 210°). In mathematics, the polar coordinate system specifies a given point in a plane by using a distance and an angle as its two coordinates. These are
Organic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, and reactions of organic compounds and organic ...
By definition, the syntax (hkℓ) denotes a plane that intercepts the three points a 1 /h, a 2 /k, and a 3 /ℓ, or some multiple thereof. That is, the Miller indices are proportional to the inverses of the intercepts of the plane with the unit cell (in the basis of the lattice vectors).
The radius and the azimuth are together called the polar coordinates, as they correspond to a two-dimensional polar coordinate system in the plane through the point, parallel to the reference plane. The third coordinate may be called the height or altitude (if the reference plane is considered horizontal), longitudinal position, [1] or axial ...
Once the radius is fixed, the three coordinates (r, θ, φ), known as a 3-tuple, provide a coordinate system on a sphere, typically called the spherical polar coordinates. The plane passing through the origin and perpendicular to the polar axis (where the polar angle is a right angle ) is called the reference plane (sometimes fundamental plane ).
The coordinate systems chosen for orbitals are usually spherical coordinates (r, θ, φ) in atoms and Cartesian (x, y, z) in polyatomic molecules. The advantage of spherical coordinates here is that an orbital wave function is a product of three factors each dependent on a single coordinate: ψ(r, θ, φ) = R(r) Θ(θ) Φ(φ).