Woon, David E. - University of Illinois at Urbana-Champaign

个人简介

1984 BS in Metallurgical Engineering, Michigan Technological University 1987 MS in Physics, Michigan Technological University 1989 PhD in Physics/Metallurgical Engineering joint program, Michigan Technological University

研究领域

bond formation behavior in small molecules reaction surfaces intermolecular complexes, including reactions in clusters condensed phase and heterogeneous reaction modeling spectroscopic properties of small molecules (ground and excited electronic states)

近期论文

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Lindquist, B. A., Engdahl, A. L., WOON, D. E., & Dunning, T. H. Jr. 2014. "Insights into the electronic structure of Disulfur Tetrafluoride Isomers from Generalized Valence Bond Theory." J. Phys. Chem. A 118, in press. 10.1021/jp5085444 Lindquist, B. A., WOON, D. E., & Dunning, T. H. Jr. 2014. "Effects of Ligand Electronegativity on Recoupled Pair Bonds with Application to Sulfurane Precursors." J. Phys. Chem. A 118, 5709-5719. 10.1021/jp503982e WOON, D..E & Dunning, T. H. Jr. 2014. "The Role of Recoupled Pair Bonding in Hypervalent Molecules." In The Chemical Bond : Chemical Bonding Across the Periodic Table (G. Frenking & S. Shaik, Eds.), Wiley-VCH, Chapter 3, 49-70. 10.1002/9783527664658.ch3 Lindquist, B. A., WOON, D. E., & Dunning, T. H. Jr. 2014. "Electronic structure of H2S, SF2, and HSF and implications for hydrogen-substituted hypervalent sulfur fluorides." J. Phys. Chem. A 118, 1267-1275. 10.1021/jp412624h Leiding, J., WOON, D. E., & Dunning, T. H., Jr. 2013. "Bonding in PF2Cl, PF3Cl, and PF4Cl: Insight into isomerism and apicophilicity from ab initio calculations and the recoupled pair bonding model." Theor. Chem. Acct. 133, 1428. 10.1007/s00214-013-1428-7 Lindquist, B. A., Takeshita, T. Y., WOON, D. E., & Dunning, T. H., Jr. 2013. "Bonding in Sulfur-Oxygen compounds—HSO/SOH and SOO/OSO: An example of recoupled pair π bonding." J. Chem. Theory Comput. 9, 4444-4452. 10.1021/ct4006536 Chen, L., WOON, D. E., & Dunning, T. H., Jr. 2013. "High level ab initio calculations for ClFn+ (n = 1–6) ions: Refining the recoupled pair bonding model." J. Phys. Chem. A 117, 4251-4266. 10.1021/jp312103v Dunning, T. H., Jr., WOON, D. E., Leiding, J., & Chen, L. 2013. "The first row anomaly and recoupled pair bonding in the halides of the late p-block elements." Acc. Chem. Res. 46, 359-368. 10.1021/ar300154a Leiding, J., WOON, D. E., & Dunning, T. H., Jr. 2012. "Insights into the unusual barrierless reaction between two closed shell molecules, (CH3)2S + F2, and its H2S+F2 analog: Role of recoupled pair bonding." J. Phys. Chem. A 116, 5247-5255. 10.1021/jp303223r Leiding, J., WOON, D. E., & Dunning, T. H., Jr. 2012. "Theoretical studies of the excited doublet states of SF and SCl and singlet states of SF2, SFCl and SCl2." J. Phys. Chem. A 116, 1655-1662. 10.1021/jp210092d Leiding, J., WOON, D. E., & Dunning, T. H., Jr. 2011. "Bonding in SCln (n = 1-6): A quantum chemical study." J. Phys. Chem. A 115, 4757-4764. 10.1021/jp2004024 Prascher, B. P., WOON, D. E., Peterson, K. A., Dunning, T. H., Jr., & Wilson, A. K. 2011. "Gaussian basis sets for correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg." Theor. Chem. Acct., 128, 69-82. 10.1007/s00214-010-0764-0 Leiding, J., WOON, D. E., & Dunning, T. H., Jr. 2011. "Bonding and isomerism in SFn-1Cl (n = 1-6): A quantum chemical Study." J. Phys. Chem 115, 329-341. 10.1021/jp107916c WOON, D. E. & Dunning, T. H., Jr. 2011. "Hypervalency and recoupled pair bonding in the p-block elements." Comp. Theor. Chem. 963, 7-12. 10.1016/j.comptc.2010.10.003 WOON, D. E. & Dunning, T. H., Jr. 2010. "Recoupled pair bonding in PFn (n = 1-5)." J. Phys. Chem. A 114, 8845-8851. 10.1021/jp102236a Flener-Lovitt, C., WOON, D. E., Dunning, T. H., Jr., & Girolami, G. S. 2010. "A DFT and ab initio study of metal-alkane interactions and the activation of carbon-hydrogen bonds." J. Phys. Chem. A 114, 1843-1851. 10.1021/jp9058033 Chen, L., WOON, D. E., & Dunning, T. H., Jr. 2009. "Bonding in ClFn (n=1-7) molecules: Further insight into the electronic structure of hypervalent molecules and recoupled pair bonds." J. Phys. Chem. A 113, 12645-12654. 10.1021/jp905064v WOON, D. E. & Dunning, T. H., Jr. 2009. "The theory of hypervalency: Recoupled pair bonding in SFn (n=1-6)." J. Phys. Chem. A 113, 7915-7926. 10.1021/jp901949b WOON, D. E. & Dunning, T. H., Jr. 2009. "A comparison between polar covalent and hypervalent recoupled pair bonding in diatomic chalcogen halide species {O,S,Se} x {F,Cl,Br}." Mol. Phys. 107, 991-998. 10.1080/00268970802712431 Arrington, C. A., Dunning, T. H., Jr., & WOON, D. E. 2007. "Electron affinity of NO." J. Phys. Chem. A 111, 11185-11188. 10.1021/jp075093m