Showing results (1-10 of 130) with videos related to
Sort By:
Pageof 13
Chemical Science|June 14, 2021
DP4-AI automated NMR data analysis: straight from spectrometer to structureAlexander Howarth, Kristaps Ermanis, Jonathan M GoodmanChemical Science|July 8, 2022
MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representationsSanha Lee, Kristaps Ermanis, Jonathan M GoodmanChemical Communications (Cambridge, England)|January 23, 2019
BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selectionJolene P Reid, Kristaps Ermanis, Jonathan M GoodmanOrganic & Biomolecular Chemistry|April 6, 2016
Expanding DP4: application to drug compounds and automationKristaps Ermanis, Kevin E B Parkes, Tatiana Agback, et al.Organic & Biomolecular Chemistry|June 1, 2019
The optimal DFT approach in DP4 NMR structure analysis - pushing the limits of relative configuration elucidationKristaps Ermanis, Kevin E B Parkes, Tatiana Agback, et al.Chemical Science|April 18, 2022
The DP5 probability, quantification and visualisation of structural uncertainty in single moleculesAlexander Howarth, Jonathan M GoodmanChemical Science|March 20, 2026
DP5 without DFT: uncertainty-calibrated graph neural net accelerates structure confirmation via NMRRuslan Kotlyarov, Alexander Howarth, Jonathan M GoodmanOrganic Letters|October 24, 2012
Synthesis of the C20-C32 tetrahydropyran core of the phorboxazoles and the C22 epimer via a stereodivergent Michael reactionPaul A Clarke, Kristaps ErmanisJournal of the American Chemical Society|November 30, 2020
A Computational and Experimental Investigation of the Origin of Selectivity in the Chiral Phosphoric Acid Catalyzed Enantioselective Minisci ReactionKristaps Ermanis, Avene C Colgan, Rupert S J Proctor, et al.Organic Letters|September 29, 2020
Asymmetric "Clip-Cycle" Synthesis of Pyrrolidines and SpiropyrrolidinesChristopher J Maddocks, Kristaps Ermanis, Paul A ClarkePageof 13