Molecules of the year: 2026 – vote!
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The annual C&E News poll on “molecules of the year” is under way and you
are encouraged to vote for one. Having taken a quick look at each of the
candida...
Assessing open source IUPAC Name generators
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*(Updated on 26/10/2026 to ensure that the Orthonym experiment uses similar
settings as for NISPO and OpenClatura (rather then just PIN). The coverage
re...
Upcoming postdoc opening
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*Advance notice for a postdoc opening in the Plasser group:*
Applications are invited for a postdoctoral research associate position at
the interface be...
dJ-DP4 and iJ-DP4: including coupling constants
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I have written quite a number of posts on using quantum mechanics
computations to predict NMR spectra that can aid in identifying chemical
structure. Perha...
The SmartIR Gallery
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Fig. 1: Thermal images in the Gallery Gallery is a tool within the SmartIR
app for users to manage their own thermal images, temperature graphs, and
othe...
New Input Generator Framework in Avogadro 2
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Avogadro 1.x had quite a large number of input generators that came from
very humble beginnings. They were designed to be easy to write, and to give
a s...
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