Steffen Thomas

Author's posts

Oct 13

Master’s Quiz

Today I translated our introductory quiz for Master’s students into English. Most of the translation was done by Google Gemini and looks solid. If you spot any mistakes or misleading phrasing, please feel free to reach out.

Feb 05

vibe coding in chemistry

Vibe coding is definitely a current trend. I will comment on this in more detail here shortly. I promise to do so, as I use it intensively and even presented it to my team recently. I used it to modernize my NMR periodic table project. The application is implemented entirely in Python and was created …

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Jul 01

13C chemical shift calculations

Previously, I’ve offered a simple increment system for various aromatic systems within my spectroscopic tools. Now, I’ve fulfilled a long-held desire and created my own method for calculating [13]C chemical shifts for all types of organic compounds. The basis is my devised DCode, an alternative to HOSE code. Crucially, the DCode is stereoselective from the …

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Apr 23

Basic Course in structural analytics

I have a german quiz with around 200 Questions about NMR, MS und IR- Spectroscopy. This quiz uses quiz-academy and the webclient should be automaticaly use the browser language. Please report problems or errors to me (steffen@sthomas.de). Individual Parts can you find using the menü on the top of this page!

Nov 12

Link SciFinder-N and ACDLabs ChemSketch

A question asked again and again is, how can ChemSketch and SciFinder-N be effectively linked? Here is my way: Draw structure in ChemSketch Generate SMILES code and copy it to the clipboard Press the Draw button in the SciFInder-N structure search Copy the SMILES code in the upper right corner of the input line and …

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