John Simmie

Emeritus Professor

National University of Ireland Galway

Ireland

Research Interests

Explore related searches

Professors in Ireland Professors in Organic Chemistry Organic Chemistry professors in Ireland

Contact this professor

ORCID

Google Scholar

About

John Simmie is an Emeritus Professor at the National University of Ireland Galway, specializing in the kinetics of tautomerization and chemical bond energies in organic compounds. His recent research articles cover various topics, including the tautomerization of thiouracils and the application of sublimation in crystal growth. His work contributes significantly to the understanding of chemical reactions and their mechanisms at low temperatures.

John Simmie

Research Interests

Explore related searches

Contact this professor

About

Articles (16)

Kinetics of direct and water-mediated tautomerization reactions of five-membered cyclic amides or lactams

Kinetics of direct and water-mediated tautomerization reactions of nucleobases at low temperatures ⩽200 K

Kinetics of tautomerisation of thiouracils and cognate species at low temperatures

Chemical Bond Energies of Organic Peroxides

Application of Sublimation in the Synthesis and Crystal Growth of Organosulfones

Kinetics of direct and water‐mediated tautomerization reactions of four‐membered cyclic lactims to amides or lactams

Kinetics of the tautomerization of thioimidic acids R−C(SH)NH → R−C(S)NH2: For R = H, F, HO, CN, NC, H2N, HC(O), HC(S), HC≡ C, CH3, CF3, H2C=CH, HOCH2, H2NCH2,CH3C(O), C2H5, (CH3)2CH, C6H5

Substituent effects in the tautomerization of imidic acids R−C(OH)=NH → R−C(O)NH2: Kinetic implications for the formation of peptide bonds in the interstellar medium

Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water–Ice Grains

Abstraction and addition reactions of four γ‐lactones with H‐atoms and methyl radicals

Differences in Coformer Interactions of the 2,4-Diaminopyrimidines Pyrimethamine and Trimethoprim

C2H5NO Isomers: From Acetamide to 1,2-Oxazetidine and Beyond

Ethyl lactate: a sinister molecule exhibiting high chemical diversity with potential as a “green” solvent

A W1 computational study on the kinetics of initial pyrolysis of a biodiesel model: methyl propanoate

Snakes on the Rungs of Jacob’s Ladder: Anomalous Vibrational Spectra from Double-Hybrid DFT Methods

An Organized Collection of Theoretical Gas-Phase Geometric, Spectroscopic, and Thermochemical Data of Oxygenated Hydrocarbons, CxHyOz (x, y = 1, 2; z = 1–8), of Relevance to Atmospheric, Astrochemical, and Combustion Sciences

Collaborators (2)

Paul Murphy

Judith Wurmel

How do I reach out?

Meet Kite AI