Applications

Focal Point Approach

FPA

Henry F. Mull, Justin M. Turney, Gary E. Douberly, and Henry F. Schaefer III. Kinetic Stability of Pentazole. The Journal of Physical Chemistry A, 2021, 125(41), 9092-9098. DOI: 10.1021/acs.jpca.1c06252


Reaction Pathways

PES

Matthew M. Davis, Jared D. Weidman, Adam S. Abbott, Gary E. Douberly, Justin M. Turney, and Henry F. Schaefer. Characterization of the 2-methylvinoxy radical + O2 reaction: A focal point analysis and composite multireference study. The Journal of Chemical Physics, 2019, 151(12), 124302. DOI: 10.1063/1.511380


Heavy Main Group Elements

HeavyEl

Henry F. Mull, Peter R. Franke, Caroline Sargent, Gary E. Douberly, Justin M. Turney, and Henry F. Schaefer III. Four isomers of In2 H2 : a careful comparison between theory and experiment. Molecular Physics, 2021, 119(21-22), e1979675. DOI: 10.1080/00268976.2021.1979675