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
Chemistry: Computation, synthesis and communication
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2010)
239
DFT study on the factors determining the enantioselectivity of friedel-crafts reactions of indole with N-acyl and N-tosylimines catalyzed by BINOL-phosphoric acid derivatives
The Journal of Organic Chemistry
(2009)
75
589
(doi: 10.1021/jo902120s)
Enzyme catalysis by hydrogen bonds: The balance between transition State binding and substrate binding in oxyanion holes
The Journal of organic chemistry
(2009)
75
{1831-1840}
(doi: 10.1021/jo901503d)
The regioselective photochemical rearrangement of alpha-[(PNBu)-Bu-t](4)
Chemical Communications
(2009)
6637
(doi: 10.1039/b914370j)
CINF 18-Reliable reactions and stable structures
ABSTR PAP AM CHEM S
(2009)
238
Conformational changes of trialanine in sodium halide solutions: An in silico study
Journal of Molecular Liquids
(2009)
147
{117-123}
(doi: 10.1016/j.molliq.2008.10.004)
To Switch or Not To Switch: The Effects of Potassium and Sodium Ions on α-Poly-l-glutamate Conformations in Aqueous Solutions
J Am Chem Soc
(2009)
131
10854
(doi: 10.1021/ja9030374)
Assigning the stereochemistry of pairs of diastereoisomers using GIAO NMR shift calculation
The Journal of organic chemistry
(2009)
74
4597
(doi: 10.1021/jo900408d)
Hydrogen Bonding and pi-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions
Journal of Chemical Information and Modeling
(2009)
49
{944-955}
(doi: 10.1021/ci900009f)
A route to enantiomerically pure 5-(2′-hydroxyethyl)cyclopent-2-en-1-ol and its absolute configuration by Mosher esters
Tetrahedron: Asymmetry
(2009)
20
{449-456}
(doi: 10.1016/j.tetasy.2009.02.007)
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