We show quantitatively, using QM/MM calculations, that a WT model in which the Ser-L223 hydroxyl group is rotated to prevent hydrogen bond formation with the O(1) atom of the semiquinone predicts negligible change for the L223SA mutant. This, together with the better agreement between key ...
Hydrogen bonding between the water molecule and the hydroxyl radical (H2O·OH): The 2A‘ and 2A’ minima. The two degenerate components of the OH radical 2Π ground electronic state give rise to independent minima (of 2A‘ and 2A’ symmetries) upon interaction ... Kim,S Kwang,H Sik,.....
Hydrogen bonding, interaction involving a hydrogen atom located between a pair of other atoms having a high affinity for electrons; such a bond is weaker than an ionic bond or covalent bond but stronger than van der Waals forces. Hydrogen bonds can exist
What is hydrogen bonding? Explain how the covalent bonding for hydrogen gas, oxygen gas, and nitrogen gas differ from one another in terms of the number of electron pairs that are shared between the atoms. What is hydrogen bonding? What conditions are necessary for hydrog...
The polymerase chain reaction (PCR)—one of the most important molecular biology techniques—is based on the denaturation and annealing of DNA via dissociation and reforming of the hydrogen bonds between the complementary bases. Hydrogen Bonds in Proteins Hydrogen bonding is a vital feature of protein...
氢键 Hydrogen Bonding 与负电性大的原子X（氟、氯、氧、氮等）共价结合的氢，如与负电性大的原子Y（与X相同的也可以）接近，在X与Y之间以氢为媒介，生成X-H…Y形的键。这种键称为氢键。氢键的结合能是2—8千卡（Kcal）。因多数氢键的共同作用，所以非常稳定。在a-螺旋的情况下是N-H…O型的...
There is a high linear correlation between the H-bond strength in these complexes and the intermolecular charge transfer using corrected Mulliken charges obtained from the charge-charge flux-overlap (CCFO) modified model for infrared intensities. Finally, our MP2/6-31++G( d,p ) calculations ...
The experimental angular geometry is in excellent agreement with that predicted by the Buckingham–Fowler electrostatic model which gives &Jgr;=27°. 展开 关键词: Chemical bonds Hydrogen bonding Microwave spectra Ground states Microwave molecular spectra ...
This can be ascribed to the formation of hydrogen bonds between the amide group (-CONH2) of monomer AM and the carboxyl groups (-COOH) of PS latex particles, which leads to the uniform bonding of monomers on the surface of PS latex particles, promotes the stable dispersion of the UV-...
Hydrogen bonding between poly(bisphenol A carbonate) (PC) and polyaniline (PAn) is analyzed using semi-empirical quantum methodology. Fully optimized AM1 molecular orbital calculations are reported for various aniline structures (monomer, dimer and trimer), the monomer of the PC and the hydrogen-bon...