D
David E. Woon
Researcher at University of Illinois at Urbana–Champaign
Publications - 66
Citations - 7567
David E. Woon is an academic researcher from University of Illinois at Urbana–Champaign. The author has contributed to research in topics: Coupled cluster & Density functional theory. The author has an hindex of 29, co-authored 64 publications receiving 7042 citations. Previous affiliations of David E. Woon include Environmental Molecular Sciences Laboratory.
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Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon
David E. Woon,Thom H. Dunning +1 more
TL;DR: In this article, the correlationconsistent polarized core-valence basis sets (cc•pVXZ) for the atoms boron through neon have been extended to treat core and core•valence correlation effects, and the exponents of the core functions were determined by minimizing the difference between allelectron and valence only correlation energies obtained from HF+1+2 calculations on the ground states of the atoms.
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Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
TL;DR: In this paper, correlation consistent and augmented correlation consistent basis sets for the third row main group atoms gallium through krypton were determined for the gallium atom, and the results showed good convergence to an apparent complete basis set limit.
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Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg
TL;DR: Correlation consistent basis sets for the alkali and alkaline earth metals Li, Be, Na, and Mg have been developed, including the valence (cc-pVnZ), augmented valence and weighted core-valence (c-pwCVnZ) basis sets as discussed by the authors.
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Benchmark calculations with correlated molecular wave functions XII. Core correlation effects on the homonuclear diatomic molecules B2-F2
TL;DR: In this paper, the authors used correlation consistent core-valence basis sets from cc-pCVDZ to calculate the spectroscopic constants of homonuclear diatomic molecules containing first row atoms, B-F, with and without inclusion of 1s correlation.
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Pathways to glycine and other amino acids in ultraviolet-irradiated astrophysical ices determined via quantum chemical modeling
TL;DR: In this article, the viability of various pathways to the formation of glycine, alanine, and serine in dilute H2O ice containing CH3OH and HCN was evaluated.