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In a discrete water molecule, there are two hydrogen atoms and one oxygen atom. The simplest case is a pair of water molecules with one hydrogen bond between them, which is called the water dimer and is often used as a model system. When more molecules are present, as is the case with liquid water, more bonds are possible because the oxygen of ...
Even for small molecules like carbohydrates, the recognition process can not be predicted or designed even assuming that each individual hydrogen bond's strength is exactly known. [26] However, as Mobley et al. [ 27 ] concluded, the accurate prediction of the molecular recognition events needs to go beyond the static snapshot of a single frame ...
Molecular self-assembly is a key concept in supramolecular chemistry. [6] [7] [8] This is because assembly of molecules in such systems is directed through non-covalent interactions (e.g., hydrogen bonding, metal coordination, hydrophobic forces, van der Waals forces, pi-stacking interactions, and/or electrostatic) as well as electromagnetic interactions.
Some DNA- or RNA-binding enzymes can recognize specific base pairing patterns that identify particular regulatory regions of genes. Hydrogen bonding is the chemical mechanism that underlies the base-pairing rules described above. Appropriate geometrical correspondence of hydrogen bond donors and acceptors allows only the "right" pairs to form ...
The first theoretical study of the water dimer was an ab initio calculation published in 1968 by Morokuma and Pedersen. [10] Since then, the water dimer has been the focus of sustained interest by theoretical chemists concerned with hydrogen bonding—a search of the CAS database up to 2006 returns over 1100 related references (73 of them in 2005).
This also allows double and triple bonds to be approximated by multiple single bonds. A modern plastic ball and stick model. The molecule shown is proline. The model shown to the left represents a ball-and-stick model of proline. The balls have colours: black represents carbon (C); red, oxygen (O); blue, nitrogen (N); and white, hydrogen (H).
Hydrogen compounds are compounds containing the element hydrogen. In these compounds, hydrogen can form in the +1 and -1 oxidation states. Hydrogen can form compounds both ionically and in covalent substances. It is a part of many organic compounds such as hydrocarbons as well as water and other organic substances.
The cost of efficient molecular packing is compensated by hydroge-bonding. Ribbons of hydrogen-bonded urea molecules form tunnel-like host into which many organic guests bind. Urea-clathrates have been well investigated for separations. [26] Beyond urea, several other organic molecules form clathrates: thiourea, hydroquinone, and Dianin's compound.