Related Products of 288-14-2, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.288-14-2, Name is Isoxazole, molecular formula is C3H3NO. In a Article£¬once mentioned of 288-14-2
Intermolecular hydrogen bonding interactions of furan, isoxazole and oxazole with water
Intermolecular hydrogen bonding between furan, isoxazole, oxazole and water has been analysed using theoretical methods. Ab initio and DFT methods have been employed to optimize the adducts of heterocycles with single water molecule. The stabilization energies associated with the adduct formation are evaluated at B3LYP/AUG-cc-pVDZ//B3LYP/6-31+G*, MP2/AUG-cc-pVDZ//MP2/6-31+G* levels and corrected for zero-point vibrational energies (ZPE) and basis set superposition error (BSSE) using counterpoise method. Natural bond orbital analysis (NBO) at MP2/6-31+G* has also been carried out to study electron delocalization of these adducts. The hydrogen bond acceptor ability of heteroatoms and p cloud of the ring are compared. In the heterocyclic molecules with nitrogen and chalogen in 1, 2 and 1, 3 positions, the nitrogen is better hydrogen bond acceptor than the chalcogen in all cases.
We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 288-14-2, and how the biochemistry of the body works.Related Products of 288-14-2
Reference£º
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem