Recent Theoretical Development of Py-Chemshell for Calculating Vibrational Properties of Transition Metal Containing Zeolites

Dec 8, 2021
10:30am - 10:45am

DS02-Virtual

You Lu

Thomas Keal

Andrew Beale

Alexey Sokol

Jingcheng Guan¹,You Lu²,Thomas Keal²,Andrew Beale³,C. Richard Catlow¹,Alexey Sokol¹

University College London¹,Daresbury Laboratory, STFC²,Rutherford Appleton Laboratory, STFC³

Enrique Martinez, Clemson University

David Aristoff, Colorado State University

Jutta Rogal, New York University

Gideon Simpson, Drexel University

Lin-Wang Wang