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The oxygen atomic orbitals are labeled according to their symmetry as a 1 for the 2s orbital and b 1 (2p x), b 2 (2p y) and a 1 (2p z) for the three 2p orbitals. The two hydrogen 1s orbitals are premixed to form a 1 (σ) and b 2 (σ*) MO. Mixing takes place between same-symmetry orbitals of comparable energy resulting a new set of MO's for water:
Water potential is the potential energy of water per unit volume relative to pure water in reference conditions. Water potential quantifies the tendency of water to move from one area to another due to osmosis , gravity , mechanical pressure and matrix effects such as capillary action (which is caused by surface tension ).
In simplest terms, a potential energy surface or PES is a mathematical or graphical representation of the relation between energy of a molecule and its geometry. The methods for describing the potential energy are broken down into a classical mechanics interpretation (molecular mechanics) and a quantum mechanical interpretation.
The Lennard-Jones potential is a simple model that still manages to describe the essential features of interactions between simple atoms and molecules: Two interacting particles repel each other at very close distance, attract each other at moderate distance, and eventually stop interacting at infinite distance, as shown in the Figure.
A major application of Walsh diagrams is to explain the regularity in structure observed for related molecules having identical numbers of valence electrons (e.g. why H 2 O and H 2 S look similar), and to account for how molecules alter their geometries as their number of electrons or spin state changes.
It is possible to envision three-dimensional (3D) graphs showing three thermodynamic quantities. [12] [13] For example, for a single component, a 3D Cartesian coordinate type graph can show temperature (T) on one axis, pressure (p) on a second axis, and specific volume (v) on a third. Such a 3D graph is sometimes called a p–v–T diagram. The ...
Energy profiles describe potential energy as a function of geometrical variables (PES in any dimension are independent of time and temperature). H+H2 Potential energy surface. We have different relevant elements in the 2-D PES: The 2-D plot shows the minima points where we find reactants, the products and the saddle point or transition state.
The potential energy due to elevated positions is called gravitational potential energy, and is evidenced by water in an elevated reservoir or kept behind a dam. If an object falls from one point to another point inside a gravitational field, the force of gravity will do positive work on the object, and the gravitational potential energy will ...