Henry F Schaefer Iii

132PUBLICATIONS
145CO-AUTHORS
Radiation and matterMain group metal chemistryOrganometallic chemistryTheoretical quantum chemistryOrdinary differential equations, difference equations and dynamical systems
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Publications (132)

|Sep 26, 2026
Energetics of Formation and Fragmentation of Carbon-Centered Radicals α- to Nitrogen and Oxygen in N,N,O‑Trimethylhydroxylamine in Comparison to Trimethylamine and Dimethyl Ether: Implications for Medicinal and Synthetic Chemistry.

|Aug 27, 2026
Effects of Increased Ligand Fields of the Second- and Third-Row Transition Metals on the Preferred Structures of Sandwich Compounds of Stoichiometry C12H12M.

|Aug 10, 2026
I2O2: High level theoretical studies and a benchmark of DFT functionals.

|Aug 06, 2026
The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.

|Jul 29, 2026
A stable cyclic (silyl)(thia)silylene via stepwise cycloaddition.

|Jul 28, 2026
Electrostatic Potential at Nuclei vs. Atomic Charges as Descriptors of Hydrogen-Bond Basicity of Molecules.

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Frequent Collaborators

26 joint publications

Justin M Turney

18 joint publications

Gregory H Robinson

13 joint publications

Yuzhong Wang

13 joint publications

Robert Bruce King