Professor in Chemistry
We use chemical informatics, computational chemistry, machine learning and AI to investigate molecules and to discover more about their structure, reactivity, analytical data and properties.
(Full list of publications)
Professor Goodman discusses his research
Publications
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
Chem Sci
(2023)
14
12355
(doi: 10.1039/d3sc03009a)
HSQC Spectra Simulation and Matching for Molecular Identification
(2023)
(doi: 10.26434/chemrxiv-2023-x4b1g)
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches
Journal of Chemical Information and Modeling
(2023)
63
4364
(doi: 10.1021/acs.jcim.3c00649)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
(2023)
(doi: 10.26434/chemrxiv-2023-74p0j)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
(2023)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
(2023)
(doi: 10.26434/chemrxiv-2023-vhlgg)
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis.
Angew Chem Weinheim Bergstr Ger
(2023)
135
e202304756
(doi: 10.1002/ange.202304756)
Selective Functionalisation of 5‐Methylcytosine by Organic Photoredox Catalysis
Angewandte Chemie (International ed. in English)
(2023)
62
e202304756
(doi: 10.1002/anie.202304756)
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence
Journal of Cheminformatics
(2023)
15
36
(doi: 10.1186/s13321-023-00706-y)
Quantitative in Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm
J Phys Chem A
(2023)
127
2628
(doi: 10.1021/acs.jpca.2c08250)
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