The six lowest lying electronic singlet states of 8-(pyrimidine-2-yl)quinolin-ol and 2-(4-nitropyrimidine-2- yl)ethenol have been studied theoretically using the complete active space self-consistent-field (CASSCF) and Møller-Plesset second-order perturbation theory (MP2) methods. Both molecules can be viewed as consisting of a frame and a crane component. As a possible mechanism for the excited-state ...

We find an invariant characterization of planar webs of maximum rank. For 4-webs, we prove that a planar 4-web is of maximum rank three if and only if it is linearizable and its curvature vanishes. This result leads to the direct web-theoretical proof of the Poincar´e’s theorem: a planar 4- web of maximum rank is linearizable. We also find an invariant intrinsic characterization of planar 4-webs ...

he high nutrient–low chlorophyll condition of the Southern Ocean is generally thought to be caused by the low bioavailability of micronutrients, particularly iron, which plays an integral role in phytoplankton photosynthesis. Nevertheless, the Southern Ocean experiences seasonal blooms that generally initiate in austral spring, peak in summer, and extend into autumn. This seasonal increase in primary ...

Patients increasingly collect health-related data using mobile health apps and sensors. Studies have shown that this data can be beneficial for both clinicians and patients if used during medical consultations. However, such data is almost never used outside controlled situations or medical trials. This paper explains why the usage of self-collected health data is not widespread by identifying ...

Logistic regression is a predictive model machine learning algorithm that displays the results in a binary form, mostly used in prediction multivariable and as an advanced version of linear regression, here we used to predict the accuracy of our model. Current accident prediction model in Norway is Tusi is a risk based model used in predicting tunnel accidents but it has some problems and loose ends ...

Chorismate mutase (CM) enzymes have long served as model systems for benchmarking new methods and tools in computational chemistry. Despite the enzymes’ prominence in the literature, the extent of the roles that activation enthalpy and entropy play in catalyzing the conversion of chorismate to prephenate is still subject to debate. Knowledge of these parameters is a key piece in fully understanding ...

<p>Monitoring air pollution is a critical step towards improving public health, particularly when it comes to identifying the primary air pollutants that can have an impact on human health. Among these pollutants, particulate matter (PM) with a diameter of up to 2.5 μm (or PM2.5) is of particular concern, making it important to continuously and accurately monitor pollution related to PM. The emergence ...

First principles theoretical modeling of out-of-equilibrium processes observed in attosecond pump–probe transient absorption spectroscopy (TAS) triggering pure electron dynamics remains a challenging task, especially for heavy elements and/or core excitations containing fingerprints of scalar and spin–orbit relativistic effects. To address this, we formulate a methodology for simulating TAS within ...

Underwater vapor cavities can be generated by acoustic stimulation. When the acoustic signals from several air guns are reflected from the sea surface, the pressure drop at some locations is sufficient for cavity growth and subsequent collapse. In this paper the generation of multiple water vapor cavities and their collapses are numerically modeled and the results are validated by comparing with ...

Active Learning has always played an important part of seamen’s education. Transfer of experience have from ancient time been practiced in an active learner-centered field where unexperienced seamen got involved in their own learning by being supervised by experienced seamen, when practicing seaman related activities. This learning practice was supreme before the introduction of “modern” maritime ...