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Department of Chemistry

 

Publications

BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection
JP Reid, K Ermanis, JM Goodman
– Chemical communications (Cambridge, England)
(2019)
55,
1778
The optimal DFT approach in DP4 NMR structure analysis - pushing the limits of relative configuration elucidation.
K Ermanis, KEB Parkes, T Agback, JM Goodman
– Organic & Biomolecular Chemistry
(2019)
17,
5886
Advances in computational NMR structure elucidation by DP4: Automation, optimisation and raw data analysis
K Ermanis, A Howarth, J Goodman
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Chemically relevant conformation clustering: Applications to reaction exploration and calculation of spectra
K Ermanis, J Goodman
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Doubling the power of DP4 for computational structure elucidation.
K Ermanis, KEB Parkes, T Agback, JM Goodman
– Org Biomol Chem
(2017)
15,
8998
Conversion of Alcohols to Phosphorothiolates Using a Thioiminium Salt as Coupling Agent.
H Grounds, K Ermanis, SA Newgas, MJ Porter
– The Journal of Organic Chemistry
(2017)
82,
12735
The stereodivergent formation of 2,6-cis and 2,6-trans-tetrahydropyrans: experimental and computational investigation of the mechanism of a thioester oxy-Michael cyclization.
K Ermanis, Y-T Hsiao, U Kaya, A Jeuken, PA Clarke
– Chemical Science
(2016)
8,
482
Expanding DP4: application to drug compounds and automation.
K Ermanis, KEB Parkes, T Agback, JM Goodman
– Organic & Biomolecular Chemistry
(2016)
14,
3943
Structure elucidation of organic compounds by NMR: DP4 made easy
K Ermanis, J Goodman
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
251,
Strategies for the construction of tetrahydropyran rings in the synthesis of natural products.
NM Nasir, K Ermanis, PA Clarke
– Organic & biomolecular chemistry
(2014)
12,
3323
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Research Group

Telephone number

01223 763854

Email address

ke291@cam.ac.uk