While a variety of double-ended transition state search methods have been developed, their relative performance in characterizing complex multistep pathways between structurally disparate molecular conformations remains unclear. Three such methods (doubly-nudged elastic band, a string method, and a growing string method) are compared for a series of benchmarks ranging from permutational isomeri...

In many areas in the physical sciences, the propagation of waves in complex media plays a central role. Acoustics, applied mathematics, elastics, environmental sciences, mechanics, marine sciences, medical sciences, microwaves, and seismology are just a few examples, and of course nanophotonics [6, 429, 448, 449]. Here, complex media are understood to exhibit a strongly inhomogeneous spatial st...

OBJECTIVE To evaluate the effects of different concentrations of chlorhexidine on the decline in force of orthodontic elastics. MATERIALS AND METHODS In a laboratory study, five groups of samples were tested, with one control group represented by distilled water (group 1) and four experimental groups: 0.12% manipulated chlorhexidine (group 2), 0.2% manipulated chlorhexidine (group 3), 0.12% c...

Résumé : In this paper, two methods were applied to determine the different elastics constants of the face centered cubic austenitic stainless steel Fe0.62Cr0.185Ni0.185. Firstly, the quantum mechanical simulation was applied based on the first principles calculations within the generalized gradient approximation (GGA) by using the efficient strain-stress method. Secondly an artificial neural n...

Class III malocclusion associated with skeletal anterior open bite pattern in adults can be a challenging orthodontic problem, especially for the nonsurgical treatment. Conventionally, several treatment alternatives are available such as tooth extraction, molar intrusion, and absolute anchorage system or orthognathic surgical correction. Although correction with surgery may be the most effectiv...

This in vitro study evaluated the Influence of prestretching, in the force decay of orthodontic elastic chains, at three time intervals: 2, 7 and 30 days with the brands Morelli, Orthometric and American Orthodontics. In the experimental group, prestretching was performed, stretching the elastics to increase them by 50% of their original length three times in a quick and sequential mode. All of...

This case report describes the orthodontic treatment of a 32-year-old woman with a Class III malocclusion, whose chief compliant was her dentofacial esthetics. The pretreatment lateral cephalometric tracings showed the presence of a Class III dentoskeletal malocclusion with components of maxillary deficiency. After discussion with the patient, the treatment option included surgically assisted r...