نتایج جستجو برای: bond energy
تعداد نتایج: 727597 فیلتر نتایج به سال:
the influence of cation-π interactions on the strength and nature of intramolecular o...h hydrogen bond has been investigated by quantum chemical calculations in orthohydroxy benzaldehyde (hba) compound. ab initio calculations have been performed at mp2/6-311++g** level of theory. vibrational frequencies and physical properties such as chemical potential and chemical hardness of these compounds...
Hydrogen bonds profoundly influence the architecture and activity of biological macromolecules. Deep appreciation of hydrogen bond contributions to biomolecular function thus requires a detailed understanding of hydrogen bond structure and energetics and the relationship between these properties. Hydrogen bond formation energies (ΔGf) are enormously more favorable in aprotic solvents than in wa...
introduction: failures might occur at metal‒porcelain interfaces as a problem with metal‒ceramic restorations even with the application of airborne-particle abrasion technique. this study was undertaken to evaluate the effect of nd:yag laser treatment on the bond strength of porcelain fused to metal. methods: twenty-four cylindrical specimens (4 mm in diameter and 4 mm in height) were made of ...
It is stressed that the two-center exchange energy components lead to a significant lowering of the total molecular energy because of exclusion of self-repulsion, and this is inevitable for covalent bond formation. The success of the two-center bond order index relies on the fact that it gives a qualitative estimate of this important phenomenon.
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