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Yusuf Hamied Department of Chemistry

 

Publications by Professor Jonathan Goodman

Introduction to Computational Organic Chemistry
JM Goodman, JP Reid, JI Wu
– Organic & Biomolecular Chemistry
(2024)
22,
7072
(DOI: 10.1039/d4ob90102a)
Towards automatically verifying chemical structures: the powerful combination of ¹H NMR and IR spectroscopy
R Lewis, B Rowlands, L Jonsson, J Goodman, P Howe, W Czechtizky, T Leek
(2024)
(DOI: 10.21203/rs.3.rs-4719113/v1)
Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity
R Kotlyarov, K Papachristos, GPF Wood, JM Goodman
– Journal of chemical information and modeling
(2024)
64,
4286
(DOI: 10.1021/acs.jcim.4c00137)
Suppressing Cis/Trans ‘Ring‐Flipping’ in Organoaluminium(III)‐2‐Pyridyl Dimers–Design Strategies Towards Lewis Acid Catalysts for Alkene Oligomerisation
D Choudhury, CC Lam, NL Farag, J Slaughter, AD Bond, JM Goodman, DS Wright
– Chemistry - A European Journal
(2024)
30,
e202303872
(DOI: 10.1002/chem.202303872)
HSQC Spectra Simulation and Matching for Molecular Identification.
M Priessner, RJ Lewis, MJ Johansson, JM Goodman, JP Janet, A Tomberg
– J Chem Inf Model
(2024)
64,
3180
(DOI: 10.1021/acs.jcim.3c01735)
Every atom counts: Predicting sites of reaction based on chemistry within two bonds
CC Lam, JM Goodman
– Digital Discovery
(2024)
3,
1878
(DOI: 10.1039/d4dd00092g)
Every atom counts: predicting sites of reaction based on chemistry within two bonds
CC Lam, JM Goodman
– Digital Discovery
(2024)
3,
1878
(DOI: 10.1039/d4dd00092g)
Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity Characterization
K von Borries, H Holmquist, M Kosnik, KV Beckwith, O Jolliet, JM Goodman, P Fantke
– Environmental Science and Technology
(2023)
57,
18259
(DOI: 10.1021/acs.est.3c05300)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
CC Lam, JM Goodman
– Chem Sci
(2023)
14,
12355
(DOI: 10.1039/d3sc03009a)
HSQC Spectra Simulation and Matching for Molecular Identification
M Priessner, A Tomberg, JP Janet, RJ Lewis, JM Goodman, MJ Jonahnsson
(2023)
(DOI: 10.26434/chemrxiv-2023-x4b1g)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
– 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
CC Lam, JM Goodman
(2023)
(DOI: 10.26434/chemrxiv-2023-74p0j)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
(2023)
(DOI: 10.26434/chemrxiv-2023-vhlgg-v2)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
(2023)
(DOI: 10.26434/chemrxiv-2023-vhlgg)
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis.
MM Simpson, CC Lam, JM Goodman, S Balasubramanian
– Angewandte Chemie (International ed. in English)
(2023)
62,
e202304756
(DOI: 10.1002/anie.202304756)
Selective Functionalisation of 5‐Methylcytosine by Organic Photoredox Catalysis
MM Simpson, CC Lam, JM Goodman, S Balasubramanian
– Angewandte Chemie
(2023)
135,
e202304756
(DOI: 10.1002/ange.202304756)
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence.
J Goodman, RJ Lewis, J Lam
– 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
DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin
– 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
J Lam, RJ Lewis, JM Goodman
(2023)
(DOI: 10.21203/rs.3.rs-2567578/v1)
In silico prediction of protodeboronation by a mechanistic DFT-aided algorithm
DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin
– AIChE Annual Meeting, Conference Proceedings
(2023)
2023-November,

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