D
Douglas J. DeFrees
Researcher at University of California, Irvine
Publications - 32
Citations - 8003
Douglas J. DeFrees is an academic researcher from University of California, Irvine. The author has contributed to research in topics: Kinetic isotope effect & Molecular orbital. The author has an hindex of 19, co-authored 32 publications receiving 7378 citations.
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Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
Michelle Francl,William J. Pietro,Warren J. Hehre,J. Stephen Binkley,Mark S. Gordon,Douglas J. DeFrees,John A. Pople +6 more
TL;DR: In this article, the 631G* and 6 31G* basis sets were extended through the second-row of the periodic table and the Hartree-Fock wave functions were used to obtain the equilibrium geometries for one-heavy-atom hydrides.
Journal ArticleDOI
Effect of electron correlation on theoretical equilibrium geometries
Douglas J. DeFrees,Beverly A. Levi,Steven K. Pollack,Warren J. Hehre,J. Stephen Binkley,John A. Pople +5 more
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