Surface science techniques such as scanning
tunneling microscopy (STM), high-resolution electron energy loss spectroscopy
(HREELS) and electrochemistry along with computational methods based on d...
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This 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...
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Ammonium 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+...
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Earlier, 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...
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The 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...
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Derek 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 ...
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The original strategic objective of my PhD researches in 1972-74 was to explore how primary kinetic hydrogen isotope effects might be influenced by the underlying structures of the transition state...
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Earlier I explored models for the heteroaromatic electrophilic protiodecarboxylation of an 3-substituted indole, focusing on the role of water as the proton transfer and delivery agent. Next, came ...
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This is the third and final study deriving from my Ph.D.[1]. The first two topics dealt with the mechanism of heteroaromatic electrophilic attack using either a diazonium cation or a proton as elec...
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Another mechanistic study we started in 1972[1] is here 40+ years on subjected to quantum mechanical scrutiny.
The kinetics are again complex, the mechanism involving protonation‡ of the...
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The BBC TV quiz series Mastermind was first broadcast in the UK in 1972, the same time I was starting to investigate the mechanism of diazocoupling to substituted indoles as part of my Ph.D. resear...
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This is a talk I gave at the 5th Brazilian Conference on Natural Products as part of my “spare time” activities and to remain engaged with my passion of NMR, structure elucidation and computational...
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