The article offers suggestions for safe chemistry classroom demonstration and experiments. Topics discussed include addition of chapter on educational instructional laboratory in standard by National Fire Protection Association (NFPA), recommendation by American Chemical Society (ACS) Committee on Chemical ...
There are several ways to calculate the PMF in |Gromacs|, probably the most common of which is to make use of the pull code. The steps for obtaining a PMF using umbrella sampling, which allows for sampling of statistically-improbable states, are: * Generate a series of configurations along...
and use them to calculate cluster frequencies over the set of all possible dendrograms, taking all ties in proximity into account. A toy example of well separated clusters was used, as well as a set of 1666 molecular descriptors calculated for a group...
In the past, we could calculate fairly precisely how many questions you needed to get right in order to get a perfect score. Unfortunately, the new adaptive format makes those calculations irrelevant. For now, we have to assume you cannot miss any questions if you want a perfect score on t...
education is absolutely important, but limiting a child’s choice to a state school or the cheapest school on the basis of principle seems to run counter to the point of paying for their education in the first place: an investment in their future. It’s pretty hard to calculate an ROI ...
The use of pharmaceuticals for the treatment of pets is connected with discharge directly into the environment. The estimation (load) of this source has never been presented and is hard to calculate; some may say that this is a minor part of the total mass of pharmaceuticals introduced into ...
N2, humidified feed gas, and shielding gas, these methods are now combined in order to obtain a previously unattainable range of operating regimes: The plasma chemistry can be tuned continuously from Ox to NOx dominated, while the degree of oxidation of the produced NOx can easily be influenced...