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The Non-Covalent Interactions index, commonly referred to as simply Non-Covalent Interactions (NCI) is a visualization index based in the Electron density (ρ) and the reduced density gradient (s). It is based on the empirical observation that Non-covalent interactions can be associated with the regions of small reduced density gradient at low ...
The chemical energy released in the formation of non-covalent interactions is typically on the order of 1–5 kcal/mol (1000–5000 calories per 6.02 × 10 23 molecules). [2] Non-covalent interactions can be classified into different categories, such as electrostatic, π-effects, van der Waals forces, and hydrophobic effects. [3] [2]
One of the most helpful methods to visualize this kind of intermolecular interactions, that we can find in quantum chemistry, is the non-covalent interaction index, which is based on the electron density of the system. London dispersion forces play a big role with this.
Besides chemical bonds, compliance constants are also useful for determining non-covalent bonds, such as H-bonds in Watson-Crick base pairs. [17] Grunenberg calculated the compliance constant for each of the donor-H⋯acceptor linkages in AT and CG base pairs and found that the central N-H⋯N bond in CG base pair is the strongest one with the ...
Host–guest chemistry encompasses the idea of molecular recognition and interactions through non-covalent bonding. Non-covalent bonding is critical in maintaining the 3D structure of large molecules, such as proteins and is involved in many biological processes in which large molecules bind specifically but transiently to one another.
In chemistry, π-effects or π-interactions are a type of non-covalent interaction that involves π systems.Just like in an electrostatic interaction where a region of negative charge interacts with a positive charge, the electron-rich π system can interact with a metal (cationic or neutral), an anion, another molecule and even another π system. [1]
Interpolymer complexes (IPC) are the products of non-covalent interactions between complementary unlike macromolecules in solutions. [1] There are four types of these complexes: Interpolyelectrolyte complexes (IPEC) or polyelectrolyte complexes (PEC) [2] Hydrogen-bonded interpolymer complexes [3] Stereocomplexes [4] Charge-transfer complexes [5]
Bound molecules are sometimes called a "molecular complex"—the term generally refers to non-covalent associations. [2] Non-covalent interactions can effectively become irreversible; for example, tight binding inhibitors of enzymes can have kinetics that closely resemble