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Chemical 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 Science|June 14, 2021
DP4-AI automated NMR data analysis: straight from spectrometer to structureAlexander Howarth, 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.Journal of the American Chemical Society|April 28, 2020
Rapid Route-Finding for Bifurcating Organic ReactionsSanha Lee, Jonathan M GoodmanOrganic & Biomolecular Chemistry|May 5, 2021
VRAI-selectivity: calculation of selectivity beyond transition state theorySanha Lee, Jonathan M GoodmanThe Journal of Organic Chemistry|July 22, 2026
Complete Computational Exploration of Eight-Carbon Hydrocarbon Chemical SpaceStephen J Harman, Kristaps ErmanisOrganic 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.Pageof 16