Professor of 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
A model for the enantioselectivity of imine reactions catalyzed by BINOL-phosphoric acid catalysts
J Org Chem
(2011)
76
1775
(doi: 10.1021/jo102410r)
Self-assembly of trehalose molecules on a lysozyme surface: The broken glass hypothesis
Phys Chem Chem Phys
(2010)
13
2294
(doi: 10.1039/c0cp01705a)
How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals.
Org. Biomol. Chem.
(2010)
9
689
(doi: 10.1039/c0ob00477d)
Proline-catalyzed aldol reactions of cyclic diketones: Fluorine modifies pathways as well as transition states
Tetrahedron
(2010)
66
8021
(doi: 10.1016/j.tet.2010.08.003)
Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability
J Am Chem Soc
(2010)
132
12946
(doi: 10.1021/ja105035r)
ChemInform Abstract: The Rational Design of Highly Stereoselective Boron Enolates Using Transition‐State Computer Modeling: A Novel, Asymmetric Anti Aldol Reaction for Ketones.
ChemInform
(2010)
24
no
(doi: 10.1002/chin.199302068)
ChemInform Abstract: Diastereofacial Selectivity in the Aldol Reactions of Chiral α‐ Methyl Aldehydes: A Computer Modelling Approach.
ChemInform
(2010)
23
no
(doi: 10.1002/chin.199238055)
ChemInform Abstract: Developing a Force Field for the Transition State of the Aldol Reaction of Enolborinates: Evaluation of the Use of Fixed Point Charges.
ChemInform
(2010)
23
no
(doi: 10.1002/chin.199236044)
ChemInform Abstract: Enolization of Ketones by Dialkylboron Chlorides and Triflates: A Model for the Effect of Reagent Leaving Group, Substrate Structure, and Amine Base.
ChemInform
(2010)
24
no
(doi: 10.1002/chin.199316065)
ChemInform Abstract: Origins of π‐Face Selectivity in the Aldol Reactions of Chiral E‐ Enol Borinates: A Computational Study Using Transition State Modelling.
ChemInform
(2010)
24
no
(doi: 10.1002/chin.199316063)
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