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Molecular acidity is an important physiochemical property essential in many fields of molecular studies, but an efficient and reliable computational approach to make accurate predictions is still missing. In this work, based on our previous studies to use gas phase electronic properties such as molecular electrostatic potential and valence natural atomic orbitals of the acidic atom and leaving proton, we demonstrate here that different approaches can be employed to tackle this problem. To that end, we employ 196 singly, doubly, and triply substituted benzoic acids for the study. We show that two different approaches are possible, one focusing on the carboxyl group through its localized electronic properties and the other on the substituting groups via Hammett constants and their additivity rule. Our present results clearly exhibit that with the linear models built from the singly substituted species, one can accurately predict the pK(a) values for the doubly and triply substituted species with both of these two approaches. The predictions from these approaches are consistent with each other and agree well with the experimental data. These intrinsically different approaches are the two manifestations of the same molecular acidity property, both valid and complementary to each other.

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Piezoelectric vibration energy harvesting technologies have attracted a lot of attention in recent decades, and the harvesters have been applied successfully in various fields, such as buildings, biomechanical and human motions. One important challenge is that the narrow frequency bandwidth of linear energy harvesting is inadequate to adapt the ambient vibrations, which are often random and broadband. Therefore, researchers have concentrated on developing efficient energy harvesters to realize broadband energy harvesting and improve energy-harvesting efficiency. Particularly, among these approaches, different types of energy harvesters adopting magnetic force have been designed with nonlinear characteristics for effective energy harvesting. This paper aims to review the main piezoelectric vibration energy harvesting technologies with magnetic coupling, and determine the potential benefits of magnetic force on energy-harvesting techniques. They are classified into five categories according to their different structural characteristics: monostable, bistable, multistable, magnetic plucking, and hybrid piezoelectric–electromagnetic energy harvesters. The operating principles and representative designs of each type are provided. Finally, a summary of practical applications is also shown. This review contributes to the widespread understanding of the role of magnetic force on piezoelectric vibration energy harvesting. It also provides a meaningful perspective on designing piezoelectric harvesters for improving energy-harvesting efficiency.

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