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PDF of the NN distances in an ideal gas. We want to calculate probability distribution function of distance to the nearest neighbor (NN) particle. (The problem was first considered by Paul Hertz; [1] for a modern derivation see, e.g.,. [2])
Methylaluminoxane, commonly called MAO, is a mixture of organoaluminium compounds with the approximate formula (Al(CH 3)O) n. It is usually encountered as a solution in ( aromatic ) solvents , commonly toluene but also xylene , cumene , or mesitylene , [ 1 ] Used in large excess, it activates precatalysts for alkene polymerization.
A force field is used to minimize the bond stretching energy of this ethane molecule.. Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields.
Quantity (common name/s) (Common) symbol/s Defining equation SI units Dimension Number of atoms N = Number of atoms remaining at time t. N 0 = Initial number of atoms at time t = 0
However, if the range of the interatomic potential is finite, i.e. the potentials () above some cutoff distance , the summing can be restricted to atoms within the cutoff distance of each other. By also using a cellular method for finding the neighbours, [ 1 ] the MD algorithm can be an O(N) algorithm.
In 1923, Peter Debye and Erich Hückel reported the first successful theory for the distribution of charges in ionic solutions. [7] The framework of linearized Debye–Hückel theory subsequently was applied to colloidal dispersions by S. Levine and G. P. Dube [8] [9] who found that charged colloidal particles should experience a strong medium-range repulsion and a weaker long-range attraction.
A mnemonic is a memory aid used to improve long-term memory and make the process of consolidation easier. Many chemistry aspects, rules, names of compounds, sequences of elements, their reactivity, etc., can be easily and efficiently memorized with the help of mnemonics.
The distance of closest approach is sometimes referred to as the contact distance. For the simplest objects, spheres, the distance of closest approach is simply the sum of their radii. For non-spherical objects, the distance of closest approach is a function of the orientation of the objects, and its calculation can be difficult.