Henry F. Schaefer

Interfacing Q‐Chem and CHARMM to perform QM/MM reaction path calculations

A. Gilbert, M. Hodošček, Bernard R. Brooks, 2007, J. Comput. Chem..

Tetragermacyclobutadiene: energetically disfavored with respect to its structural isomers.

D. Hollman, J. W. Mullinax, Henry F. Schaefer, 2013, Chemistry.

Can density cumulant functional theory describe static correlation effects?

Alexander Yu Sokolov, Henry F Schaefer, H. Schaefer, 2015, Journal of chemical theory and computation.

Intermolecular interactions and proton transfer in the hydrogen halide-superoxide anion complexes.

Sebastian J. R. Lee, H. Schaefer, J. W. Mullinax, 2016, Physical chemistry chemical physics : PCCP.

Competition between Solvent···Solvent and Solvent···Solute Interactions in the Microhydration of the Tetrafluoroborate Anion, BF4-(H2O)n=1,2,3,4.

Gregory S. Tschumper, Laura N Olive, Henry F. Schaefer, 2023, The journal of physical chemistry. A.

Convergent ab initio analysis of the multi-channel HOBr + H reaction.

G. Douberly, Mitchell E. Lahm, Henry F. Schaefer, 2024, The Journal of chemical physics.

Biomimetic Frustrated Lewis Pair Catalysts for Hydrogenation of CO to Methanol at Low Temperatures

Henry F. Schaefer, Xue-Qing Song, Jiejing Zhang, 2024, ACS organic & inorganic Au.