Presentation given at ACS Meeting in Philadelphia in August 2016 The EPA iCSS Chemistry Dashboard to Support Compound Identification Using High Resolution Mass Spectrometry Data There is a growing ...
Read ItThis poster was presented at the American Chemical Society in Philadelphia in August 2016 at the Sci-Mix gathering and at the ENVR section on Wednesday. SESSION: Sci-Mix SESSION TIME: August 22, 20...
Read ItThis presentation was presented at the American Chemical Society in Philadelphia in August 2016 DAY & TIME OF PRESENTATION: Sunday, August, 21, 2016 from 1:10 PM – 1:35 PM ROOM & LOCATION: ...
Read ItAbstract This paper reviews the problems associated with marijuana abuse and marijuana dependency among college students (Ratini, 2014). It also explores their progressive use of marijuana, ca...
Read ItAmmonium hydroxide (NH 4+...OH -) can be characterised quantum mechanically when stabilised by water bridges connecting the ion-pairs. It is a small step from there to hydronium hydroxide, or H 3O+...
Read ItEarlier, I constructed a possible model of hydronium hydroxide, or H 3O+.OH - One way of assessing the quality of the model is to calculate the free energy difference between it and two normal wat...
Read ItThe upcoming ACS national meeting in San Diego has a CHED (chemical education division) session entitled Implementing Discovery-Based Research Experiences in Undergraduate Chemistry Courses. I had ...
Read ItHere is another exploration of simple chemical concepts using crystal structures. Consider a simple diene: how does the central C-C bond length respond to the torsion angle between the two C=C bond...
Read ItPreviously, I explored deviation from ideal tetrahedral arrangements of four carbon ligands around a central (sp 3) carbon using crystal structures. Now it is the turn of digonal (sp 1) and trigona...
Read ItThe phenomenon of bond stretch isomerism, two isomers of a compound differing predominantly in just one bond length, is one of those chemical concepts that wax and occasionally wane. Here I explore...
Read ItDerek Lowe has a recent post entitled " Another Funny-Looking Structure Comes Through". He cites a recent medchem article[1] in which the following acetal sub-structure appears in a promising drug ...
Read ItThis question was posted on the CCL (computational chemistry list) by John McKelvey. Here, I give an answer in the form of a search of the CSD (crystal structure database). I was not sure if the qu...
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