John M Simmie

4PUBLICATIONS
5CO-AUTHORS
Catalysis and mechanisms of reactionsBiomolecular modelling and designBiologically active moleculesTheoretical quantum chemistry
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Publications (4)

|Jun 15, 2023
Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water-Ice Grains.

Boutheïna Kerkeni, John M Simmie

|May 09, 2022
Differences in Coformer Interactions of the 2,4-Diaminopyrimidines Pyrimethamine and Trimethoprim.

Lamis Alaa Eldin Refat, Ciaran O'Malley, John M Simmie

|Feb 03, 2022
C2H5NO Isomers: From Acetamide to 1,2-Oxazetidine and Beyond.

John M Simmie

|Aug 14, 2020
Snakes on the Rungs of Jacob's Ladder: Anomalous Vibrational Spectra from Double-Hybrid DFT Methods.

J M Simmie, K P Somers

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Frequent Collaborators

1 joint publications

K P Somers

1 joint publications

Lamis Alaa Eldin Refat

1 joint publications

Patrick McArdle

1 joint publications

Andrea Erxleben