Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
CycloadditionIn organic chemistry, a cycloaddition is a chemical reaction in which "two or more unsaturated molecules (or parts of the same molecule) combine with the formation of a cyclic adduct in which there is a net reduction of the bond multiplicity". The resulting reaction is a cyclization reaction. Many but not all cycloadditions are concerted and thus pericyclic. Nonconcerted cycloadditions are not pericyclic. As a class of addition reaction, cycloadditions permit carbon–carbon bond formation without the use of a nucleophile or electrophile.
CyclopropanationIn organic chemistry, cyclopropanation refers to any chemical process which generates cyclopropane () rings. It is an important process in modern chemistry as many useful compounds bear this motif; for example pyrethroid insecticides and a number of quinolone antibiotics (ciprofloxacin, sparfloxacin, etc.). However, the high ring strain present in cyclopropanes makes them challenging to produce and generally requires the use of highly reactive species, such as carbenes, ylids and carbanions.
Endergonic reactionIn chemical thermodynamics, an endergonic reaction (; also called a heat absorbing nonspontaneous reaction or an unfavorable reaction) is a chemical reaction in which the standard change in free energy is positive, and an additional driving force is needed to perform this reaction. In layman's terms, the total amount of useful energy is negative (it takes more energy to start the reaction than what is received out of it) so the total energy is a net negative result, as opposed to a net positive result in an exergonic reaction.
CalorieThe calorie is a unit of energy that originated from the obsolete caloric theory of heat. For historical reasons, two main definitions of "calorie" are in wide use. The large calorie, food calorie, dietary calorie, or kilogram calorie was originally defined as the amount of heat needed to raise the temperature of one kilogram of water by one degree Celsius (or one kelvin). The small calorie or gram calorie was defined as the amount of heat needed to cause the same increase in one gram of water.
Intramolecular reactionIn chemistry, intramolecular describes a process or characteristic limited within the structure of a single molecule, a property or phenomenon limited to the extent of a single molecule. intramolecular hydride transfer (transfer of a hydride ion from one part to another within the same molecule) intramolecular hydrogen bond (a hydrogen bond formed between two functional groups of the same molecule) cyclization of ω-haloalkylamines and alcohols to form the corresponding saturated nitrogen and oxygen heterocycles, respectively (an SN2 reaction within the same molecule) In intramolecular organic reactions, two reaction sites are contained within a single molecule.
Russell's paradoxIn mathematical logic, Russell's paradox (also known as Russell's antinomy) is a set-theoretic paradox published by the British philosopher and mathematician Bertrand Russell in 1901. Russell's paradox shows that every set theory that contains an unrestricted comprehension principle leads to contradictions. The paradox had already been discovered independently in 1899 by the German mathematician Ernst Zermelo. However, Zermelo did not publish the idea, which remained known only to David Hilbert, Edmund Husserl, and other academics at the University of Göttingen.
Sacred geometrySacred geometry ascribes symbolic and sacred meanings to certain geometric shapes and certain geometric proportions. It is associated with the belief of a divine creator of the universal geometer. The geometry used in the design and construction of religious structures such as churches, temples, mosques, religious monuments, altars, and tabernacles has sometimes been considered sacred. The concept applies also to sacred spaces such as temenoi, sacred groves, village greens, pagodas and holy wells, Mandala Gardens and the creation of religious and spiritual art.