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Yusuf Hamied Department of Chemistry

 
Introduction to Computational Organic Chemistry.
JM Goodman, JP Reid, JI Wu
– Organic & biomolecular chemistry
(2024)
22,
7072
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)
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
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
HSQC Spectra Simulation and Matching for Molecular Identification
M Priessner, RJ Lewis, MJ Johansson, JM Goodman, JP Janet, A Tomberg
– Journal of chemical information and modeling
(2024)
64,
3180
Every atom counts: predicting sites of reaction based on chemistry within two bonds
CC Lam, JM Goodman
– Digital Discovery
(2024)
3,
1878
Every atom counts: Predicting sites of reaction based on chemistry within two bonds
CC Lam, JM Goodman
– Digital Discovery
(2024)
3,
1878
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
– Environ Sci Technol
(2023)
57,
18259
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions.
CC Lam, JM Goodman
– Chemical science
(2023)
14,
12355
HSQC Spectra Simulation and Matching for Molecular Identification
M Priessner, A Tomberg, JP Janet, RJ Lewis, JM Goodman, MJ Jonahnsson
(2023)
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches.
CC Lam, JM Goodman
– Journal of chemical information and modeling
(2023)
63,
4364
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
CC Lam, JM Goodman
(2023)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
(2023)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
(2023)
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
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis.
MM Simpson, CC Lam, JM Goodman, S Balasubramanian
– Angew Chem Weinheim Bergstr Ger
(2023)
135,
e202304756
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
Quantitative <i>In Silico</i> Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm.
DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin
– J Phys Chem A
(2023)
127,
2628
Interpreting Vibrational Circular Dichroism Spectra: the Cai•Factor for Absolute Configuration with Confidence
J Lam, RJ Lewis, JM Goodman
(2023)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
CC Lam, JM Goodman
– Chemical Science
(2023)
14,
12355