Variables
Molecules can be modelled either in vacuum or in the presence of a solvent such as water. Simulations of systems in vacuum are referred to as gas-phase simulations, while those that include the presence of solvent molecules are referred to as explicit solvent simulations. In another type of simulation, the effect of solvent is estimated using an empirical mathematical expression; these are known as implicit solvation simulations.
Read more about this topic: Molecular Modelling
Famous quotes containing the word variables:
“The variables of quantification, ‘something,’ ‘nothing,’ ‘everything,’ range over our whole ontology, whatever it may be; and we are convicted of a particular ontological presupposition if, and only if, the alleged presuppositum has to be reckoned among the entities over which our variables range in order to render one of our affirmations true.”
—Willard Van Orman Quine (b. 1908)
“The variables are surprisingly few.... One can whip or be whipped; one can eat excrement or quaff urine; mouth and private part can be meet in this or that commerce. After which there is the gray of morning and the sour knowledge that things have remained fairly generally the same since man first met goat and woman.”
—George Steiner (b. 1929)
“Science is feasible when the variables are few and can be enumerated; when their combinations are distinct and clear. We are tending toward the condition of science and aspiring to do it. The artist works out his own formulas; the interest of science lies in the art of making science.”
—Paul Valéry (1871–1945)