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
Combining calculations and experiments in the analysis of NMR spectra: CP3, DP4 and beyond
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2011)
242,
Structure-activity studies of the pelorusides: New congeners and semi-synthetic analogues
– Organic & biomolecular chemistry
(2011)
9,
4456
(doi: 10.1039/c0ob01127d)
A Model for the Enantioselectivity of Imine Reactions Catalyzed by BINOL−Phosphoric Acid Catalysts
– The Journal of Organic Chemistry
(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.
– Organic & biomolecular chemistry
(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
– Journal of the American Chemical Society
(2010)
132,
{12946-12959}
(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: 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: Diastereofacial Selectivity in the Aldol Reactions of Chiral α‐ Methyl Aldehydes: A Computer Modelling Approach.
– ChemInform
(2010)
23,
no
(doi: 10.1002/chin.199238055)
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