Direct Absolute pKa Predictions and Proton Transfer Mechanisms of Small Molecules in Aqueous Solution by QM/MM-MD

Authors

Keywords

Journal

Volume 117, Issue 20, Pages 6269-6275

Publisher

American Chemical Society (ACS)

Online

2013-04-22

DOI

10.1021/jp400180x

Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.

Create Now

Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.

Get Started