Departamento de Electrónica e Computación
Departamento
AstraZeneca (United Kingdom)
Cambridge, Reino UnidoPublicacións en colaboración con investigadores/as de AstraZeneca (United Kingdom) (3)
2020
-
IMPRESSION-prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy
Chemical Science, Vol. 11, Núm. 2, pp. 508-515
2009
-
Remarkably slow rotation about a single bond between an sp 3-hybridised carbon atom and an aromatic ring without ortho substituents
Chemistry - A European Journal, Vol. 15, Núm. 9, pp. 2185-2189
2006
-
A new general-purpose fully automatic baseline-correction procedure for 1D and 2D NMR data
Journal of Magnetic Resonance, Vol. 183, Núm. 1, pp. 145-151