Calculations of sensitivities of future experiments are a necessary ingredient in experimental high energy physics. Especially in the context of measurements of the neutrino oscillation parameters extensive studies are performed to arrive at the optimal configuration. In this note we clarify the definition of sensitivity as often applied in these studies. In addition we examine two of the most ...

It is common to only use Reverberation Time (RT) for setting the acoustic conditions in a classroom for teaching and learning activities. To calculate the RT in rooms with ceiling absorption is common but this data can also be misleading. Indeed, we measured the same RT values in two identical rooms with different acoustic treatment, even though the calculations predicted significant difference...

Herbicides, Plastoquinone, MO Calculation, Photosystem II Molecular orbital calculations o f the net charge and the n charge distribution in several inhibitors and herbicides o f the functionally related group o f the diuron and dinoseb type are reported. They confirm the model that urea, aminotriazinone and triazine herbicides all have in common a positive ^-charge at a particular atom conside...

Structure-based drug design could benefit greatly from computational methodologies that accurately predict the binding affinity of small compounds to target biomolecules. However, the current scoring functions used to rank compounds in virtual screens by docking are not sufficiently accurate to guide reliably the design of tight binding ligands. Thus, there is strong interest in methodologies b...

A common approach in computational science is to use a set of highly precise but expensive calculations to parameterize a model that allows less precise but more rapid calculations on larger-scale systems. Leastsquares fitting on a model that underfits the data is generally used for this purpose. For arbitrarily precise data free from statistic noise, e.g., ab initio calculations, we argue that...

The MILC Collaboration has been producing ensembles of lattice configurations with three dynamical flavors for the past few years. There are now results for three lattice spacings for a variety of light and strange quark masses, ranging down to ml = 0.1ms, where ms is the dynamical strange quark mass and ml is the common mass of the u and d quarks. Recently, the Fermilab, HPQCD, MILC and UKQCD ...

in this work, the optimization calculations were carried out on quetiapine hemifumarat, 4, and its analogues, 1-5. these calculations were carried out using the b3lyp/6-31g(d) level of theory. the dft calculations clarified a boat structure for dibenzothiazepine moiety of the molecule which piperazine moiety has a chair conformation. thermal energies (e), enthalpies (h), and free energies (g) o...

in this work the performance of a wavelength division multiple access (wdma) system with direct detection receiver is investigated. for this purpose, the probability of error in a wdma network with ook modulation considering crosstalk, isi, photo detector noise and thermal noise is calculated and the effect of each on system performance is investigated. the system performance in presence of pin...

in this paper, the structure of a new 16-membered macrocyclic schiff base compound n,n′-(3,3′-dimethoxy-2,2′-(propane-1,3-diyldioxy)dibenzylidene)propane-1,3-diamine, c22h26n2o4 (1), derived from 1,3-propanediamine and 3,3′-dimethoxy-2,2′-(propane-1,3-diyldioxy)dibenzaldehyde has been studied by single crystal x-ray diffraction, dft calculations at b3lyp/6-31g** and ft-ir spectroscopy. the titl...