Search results
So how are this critical points related to chemistry? Here is some explanation about the chemical meaning: (3, -3) critical point: This is the position of an atom. For all atoms except hydrogen it is also the position of the nuclei. The point therefore is also called an atomic critical point.
31 maj 2018 · Bond critical points (BCPs) in the quantum theory of atoms in molecules (QTAIM) are shown to be a consequence of the molecular topology, symmetry, and the Poincaré-Hopf relationship, which defines the numbers of critical points of different types in a scalar field.
the (3, –1) critical point referred to as a bond critical point . For a given configuration X of the nuclei, a molecular graph is defined as the union of closures of the bond paths or atomic interaction lines.
Representations of the chemical bond that currently exist within the QTAIM framework, include the work of Jones and Eberhart and also that of Morgenstern et al on bond-bundles in open...
3 paź 2016 · Molecular graphs of water, ethane, cyclopropane and cubane systems with their electron densities and their Laplacian values in a.u. The small red, yellow and green dots represent the bond critical points, ring critical points and the cage critical points, respectively.
29 wrz 2022 · In a phase diagram, the critical point or critical state is the point at which two phases of a substance initially become indistinguishable from one another. The critical point is the end point of a phase equilibrium curve, defined by a critical pressure T p and critical temperature P c .
