2021 journal article

Density Functional Theory Study of Reaction Equilibria in Signal Amplification by Reversible Exchange

ChemPhysChem.

co-author countries: United States of America 🇺🇸
author keywords: computational chemistry; density functional calculations; hyperpolarization; NMR spectroscopy; reaction mechanisms; parahydrogen
Source: ORCID
Added: October 10, 2021

Abstract The front cover artwork is provided by the groups of Prof. Thomas Theis (North Carolina State University) Prof. Volker Blum (Duke University). The image shows the reaction network of Signal Amplification by Reversible Exchange (SABRE), elucidated by density functional theory (DFT). Read the full text of the Review at 10.1002/cphc.202100204 .