Henry F Schaefer Iii

131PUBLICATIONS
145CO-AUTHORS
Main group metal chemistryOrganometallic chemistryTheoretical quantum chemistryOrdinary differential equations, difference equations and dynamical systemsPhotonics, optoelectronics and optical communications
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Publications (131)

|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.

|Jul 21, 2026
Linear-Scaling Asymmetric Triples Correction through the Solution of the DLPNO-CCSD Lambda Equations: DLPNO-CCSD(T)Λ.

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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