Research unit @KNUSTGH dedicated to the use of computational techniques to study the behavior of molecules and materials for wide range of applications.
KNUST-Ghana
Joined November 2020
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The Theoretical and Computational Lab at KNUST wish lab members and you a happy holiday season and a great start with new computational thinking in 2022! #CompChem
Along the lanes of memories, @CompChemKnust wishes to congratulate 2021 undergraduate project students. Indeed, solving the mysteries of chemistry through the eyes of quantum theory hasn't been an easy journey!!! Well done descendants of G.N Lewis.
#ProfilesPathwaysDreams
An update of papers published by the Theoretical and Computational Lab at KNUST from previous months.
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Investigating the site-, regio-, and stereo-selectivities of the reactions between organic azide and 7-heteronorbornadiene: a DFT mechanistic study
link.springer.com/article/10…
Investigating the site-, regio-, and stereo-selectivities of the reactions between organic azide and 7-heteronorbornadiene: a DFT mechanistic study
link.springer.com/article/10…
Computational Chemistry Lab, KNUST retweeted
Interested in a PhD position in computational chemistry at @ciqususc? If you did a MSc, feel free to contact/DM me!
📰Info here: buff.ly/3rGS88Y
#compchem #PhDposition
Computational Chemistry Lab, KNUST retweeted
Why do you want to be a scientist?
Françoise Barré-Sinoussi was awarded the 2008 Medicine Prize "for the discovery of human immunodeficiency virus (HIV)."
Computational Chemistry Lab, KNUST retweeted
Thermal aberrations and structured light II: experimental simulation with DMDs - Applied Physics B j.mp/3Bp4JSO
cc @CSIR @WitsUniversity
1, 3-Dipolar cycloaddition reactions of selected 1,3-dipoles with 7-is... sciencedirect.com/science/ar…
Peri-, Chemo-, Regio-, Stereo- and Enantio-Selectivities of 1,3-dipola... sciencedirect.com/science/ar…
Investigating the regio-, stereo-, and enantio-selectivities of the 1,... sciencedirect.com/science/ar…
(3 + 2) cycloaddition reaction of 7-isopropylidenebenzonorbornadiene a... sciencedirect.com/science/ar…
Computational exploration of the 1,3‐dipolar cycloaddition reaction of 7‐isopropylidenebenzonorbornadiene with nitrile oxide and cyclic nitrone derivatives onlinelibrary.wiley.com/doi/…
Quantum chemical investigation of the formation of spiroheterocyclic c... sciencedirect.com/science/ar…
The Story of (3 + 2) Cycloaddition Reactions. This project is aimed at DFT and other reactivity descriptors mechanistic investigations on selected important reactions that proceed via the typical (3 + 2), formal (3 + 2) and the atypical (3 + 2) cycloaddition reactions. @KNUSTGH
Computational Chemistry Lab, KNUST retweeted
A study on Alasa (African Star Fruit) has proven to have numerous medicinal properties. It is a natural remedy for; toothache, constipation, sore throat, mouth/gum disease & much more. A study by Dr. C. Larbi. #KNUSTResearch Read more: bit.ly/knustresearchonAlasa
Computational Chemistry Lab, KNUST retweeted
Our best wishes to all our research students as they start their Mid-semester Examination tomorrow. #Chemistry
Computational Chemistry Lab, KNUST retweeted
Free access for 50 days.
Quantum chemical investigation of the formation of spiroheterocyclic c... sciencedirect.com/science/ar…
Computational Chemistry Lab, KNUST retweeted
Mechanism of Guaiacol Hydrodeoxygenation on Cu (111): Insights from Density Functional Theory Studies mdpi.com/1079922 ##mdpicatalysts via @Catalysts_MDPI
