Henry F Schaefer Iii

130PUBLICATIONS
145CO-AUTHORS
Organometallic chemistryTheoretical quantum chemistryOrdinary differential equations, difference equations and dynamical systemsPhotonics, optoelectronics and optical communicationsFormal methods for software
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Publications (130)

|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.

|May 22, 2026
Resolving the trifecta of discrepancies regarding the phosphorus suboxide P4O.

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Frequent Collaborators

26 joint publications

Justin M Turney

18 joint publications

Gregory H Robinson

13 joint publications

Yuzhong Wang

12 joint publications

Mitchell E Lahm