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
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
– J Chem Inf Model
(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
– Angewandte Chemie (Weinheim an der Bergstrasse, Germany)
(2023)
135,
e202304756
(doi: 10.1002/ange.202304756)
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis.
– Angewandte Chemie International Edition
(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
– The Journal of Physical Chemistry A
(2023)
127,
2628
(doi: 10.1021/acs.jpca.2c08250)
Interpreting Vibrational Circular Dichroism Spectra: the Cai•Factor for Absolute Configuration with Confidence
(2023)
(doi: 10.21203/rs.3.rs-2567578/v1)
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