Search

Categories

Analytical Chemistry

(1)

Catalysis

(1)

Organic Chemistry

(2)

Organometallic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(3)

Keywords

Authors

Jessica Wahlers

3 results in Authors: Jessica Wahlers

Theoretical and Computational Chemistry

On the Use of Real-World Datasets for Reaction Yield Prediction

Mandana Saebi, Bozhao Nan, John Herr, Jessica Wahlers, Zhichun Guo, Andrzej Zurański, Thierry Kogej, Per-Ola Norrby, Abigail Doyle, Olaf Wiest, Nitesh Chawla

Version 3 posted 27 September 2021

5,365

Downloads

4

Citations

Organometallic Chemistry

Proofreading Experimentally Assigned Stereochemistry Through Q2MM Predictions in Pd-Catalyzed Allylic Aminations

Jessica Wahlers, Jèssica Margalef, Eric Hansen, Armita Bayesteh, Paul Helquist, Montserrat Diéguez, Oscar Pàmies, Olaf Wiest, Per-Ola Norrby

Version 1 posted 06 May 2021

268

Downloads

Organic Chemistry

Stereoselectivity Predictions for the Pd-Catalyzed 1,4-Conjugate Addition Using Q2MM

Jessica Wahlers, Michael Maloney, Farbod Salahi, Anthony Rosales, Paul Helquist, Per-Ola Norrby, Olaf Wiest

Version 1 posted 18 January 2021

387

Downloads