David E Woon

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Research Output

2017

High level ab initio calculations on ClFn (n = 1–6): Recoupled pair bonding involving a closed-shell central ion

Chen, L., Woon, D. E. & Dunning, T. H., Sep 15 2017, In : Computational and Theoretical Chemistry. 1116, p. 73-85 13 p.

Research output: Contribution to journalArticle

2016

Recoupled Pair Bonding: Unifying the Theory of Valence for the Main Group Elements

Dunning, T. H., Woon, D. E., Xu, L. T., Takeshita, T. Y., Lindquist, B. A. & Leiding, J., Jan 1 2016, In : Annual Reports in Computational Chemistry. 12, p. 81-113 33 p.

Research output: Contribution to journalArticle

2015

Thom H. Dunning, Jr. Contributions to chemical theory and computing

Wilson, A. K., Peterson, K. A. & Woon, D. E., Jan 1 2015, In : Theoretical Chemistry Accounts. 134, 1

Research output: Contribution to journalEditorial

2014

Effects of ligand electronegativity on recoupled pair bonds with application to sulfurane precursors

Lindquist, B. A., Woon, D. E. & Dunning, T. H., Jul 31 2014, In : Journal of Physical Chemistry A. 118, 30, p. 5709-5719 11 p.

Research output: Contribution to journalArticle

Electronic structure of H2S, SF2, and HSF and implications for hydrogen-substituted hypervalent sulfur fluorides

Lindquist, B. A., Woon, D. E. & Dunning, T. H., Feb 20 2014, In : Journal of Physical Chemistry A. 118, 7, p. 1267-1275 9 p.

Research output: Contribution to journalArticle

Insights into the electronic structure of disulfur tetrafluoride isomers from generalized valence bond theory

Lindquist, B. A., Engdahl, A. L., Woon, D. E. & Dunning, T. H., Oct 30 2014, In : Journal of Physical Chemistry A. 118, 43, p. 10117-10126 10 p.

Research output: Contribution to journalArticle

The Role of Recoupled Pair Bonding in Hypervalent Molecules

Woon, D. E. & Dunning, T. H., Jul 8 2014, The Chemical Bond: Chemical Bonding Across the Periodic Table. Wiley-Blackwell, Vol. 9783527333158. p. 49-70 22 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

2013

Bonding in sulfur-oxygen compounds - HSO/SOH and SOO/OSO: An example of recoupled pair π bonding

Lindquist, B. A., Takeshita, T. Y., Woon, D. E. & Dunning, T. H., Oct 8 2013, In : Journal of Chemical Theory and Computation. 9, 10, p. 4444-4452 9 p.

Research output: Contribution to journalArticle

Calculated dipole moments for silicon and phosphorus compounds of astrophysical interest

Müller, H. S. P. & Woon, D. E., Dec 19 2013, In : Journal of Physical Chemistry A. 117, 50, p. 13868-13877 10 p.

Research output: Contribution to journalArticle

High level ab initio calculations for ClFn+ (n = 1-6) ions: Refining the recoupled pair bonding model

Chen, L., Woon, D. E. & Dunning, T. H., May 23 2013, In : Journal of Physical Chemistry A. 117, 20, p. 4251-4266 16 p.

Research output: Contribution to journalArticle

The first row anomaly and recoupled pair bonding in the halides of the late p-block elements

Dunning, T. H., Woon, D. E., Leiding, J. & Chen, L., Feb 19 2013, In : Accounts of chemical research. 46, 2, p. 359-368 10 p.

Research output: Contribution to journalArticle

2012

Theoretical studies of the excited doublet states of SF and SCl and singlet states of SF 2, SFCl, and SCl 2

Leiding, J., Woon, D. E. & Dunning, T. H., Feb 16 2012, In : Journal of Physical Chemistry A. 116, 6, p. 1655-1662 8 p.

Research output: Contribution to journalArticle

2011

Bonding and isomerism in SFn -1Cl (n = 1-6): A quantum chemical study

Leiding, J., Woon, D. E. & Dunning, T. H., Jan 27 2011, In : Journal of Physical Chemistry A. 115, 3, p. 329-341 13 p.

Research output: Contribution to journalArticle

Bonding in SCln (n = 1-6): A quantum chemical study

Leiding, J., Woon, D. E. & Dunning, T. H., May 12 2011, In : Journal of Physical Chemistry A. 115, 18, p. 4757-4764 8 p.

Research output: Contribution to journalArticle

Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

Prascher, B. P., Woon, D. E., Peterson, K. A., Dunning, T. H. & Wilson, A. K., Jan 1 2011, In : Theoretical Chemistry Accounts. 128, 1, p. 69-82 14 p.

Research output: Contribution to journalArticle

Hypervalency and recoupled pair bonding in the p-block elements

Woon, D. E. & Dunning, T. H., Jan 2011, In : Computational and Theoretical Chemistry. 963, 1, p. 7-12 6 p.

Research output: Contribution to journalArticle

2010

A DFT and ab Initio benchmarking study of metal-Alkane interactions and the activation of carbon-hydrogen bonds

Flener-Lovitt, C., Woon, D. E., Dunning, T. H. & Girolami, G. S., Mar 1 2010, In : Journal of Physical Chemistry A. 114, 4, p. 1843-1851 9 p.

Research output: Contribution to journalArticle

Recoupled pair bonding in PFn (n=1-5)

Woon, D. E. & Dunning, T. H., Aug 26 2010, In : Journal of Physical Chemistry A. 114, 33, p. 8845-8851 7 p.

Research output: Contribution to journalArticle

2009

A comparison between polar covalent bonding and hypervalent recoupled pair bonding in diatomic chalcogen halide species {O,S,Se} {F,Cl,Br}

Woon, D. E. & Dunning, T. H., Jan 1 2009, In : Molecular Physics. 107, 8-12, p. 991-998 8 p.

Research output: Contribution to journalArticle

Bonding in ClFn (n = 1-7) Molecules: Further insight into the electronic structure of hypervalent molecules and recoupled pair bonds

Chen, L., Woon, D. E. & Dunning, T. H., Nov 12 2009, In : Journal of Physical Chemistry A. 113, 45, p. 12645-12654 10 p.

Research output: Contribution to journalArticle

Is HO2+ a detectable interstellar molecule?

Widicus Weaver, S. L., Woon, D. E., Ruscic, B. & McCall, B. J., Jan 1 2009, In : Astrophysical Journal. 697, 1, p. 601-609 9 p.

Research output: Contribution to journalArticle

Quantum chemical predictions of the properties of known and postulated neutral interstellar molecules

Woon, D. E. & Herbst, E., Dec 28 2009, In : Astrophysical Journal, Supplement Series. 185, 2, p. 273-288 16 p.

Research output: Contribution to journalArticle

Theory of hypervalency: Recoupled pair bonding in SF n (n = 1-6)

Woon, D. E. & Dunning, T. H., Jul 9 2009, In : Journal of Physical Chemistry A. 113, 27, p. 7915-7926 12 p.

Research output: Contribution to journalArticle

2008

A laboratory and theoretical study of silicon hydroxide SiOH

McCarthy, M. C., Tamassia, F., Woon, D. E. & Thaddeus, P., Nov 25 2008, In : Journal of Chemical Physics. 129, 18, 184301.

Research output: Contribution to journalArticle

2007

Electron affinity of NO

Arrington, C. A., Dunning, T. H. & Woon, D. E., Nov 28 2007, In : Journal of Physical Chemistry A. 111, 44, p. 11185-11188 4 p.

Research output: Contribution to journalArticle

2006

Ab Initio quantum chemical studies of reactions in astrophysical ices - Reactions involving CH3OH, CO2, CO, and HNCO in H 2CO/NH3/H2O ices

Woon, D. E., Dec 1 2006, ASTROCHEMISTRY: From Laboratory Studies to Astronomical Observations. p. 305-314 10 p. (AIP Conference Proceedings; vol. 855).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Theoretical modeling of formic acid (HCOOH), formate (HCOO-), and ammonium-nh4+ vibrational spectra in astrophysical ICES

Park, J. Y. & Woon, D. E., Sep 10 2006, In : Astrophysical Journal. 648, 2 I, p. 1285-1290 6 p.

Research output: Contribution to journalArticle

2004

Computational confirmation of the carrier for the "XCN" interstellar ice band: OCN- charge transfer complexes

Park, J. Y. & Woon, D. E., Jan 20 2004, In : Astrophysical Journal. 601, 1 II

Research output: Contribution to journalArticle

Photoionization in ultraviolet processing of astrophysical ice analogs at cryogenic temperatures

Woon, D. E., Jan 1 2004, In : Advances in Space Research. 33, 1, p. 44-48 5 p.

Research output: Contribution to journalArticle

2002
2001

Ab initio electron affinities of AlH, SiH, GaH, and GeH, including characterization of bound excited states of SiH- and GeH-

Woon, D. E. & Beck, D. R., Oct 19 2001, In : Chemical Physics Letters. 347, 1-3, p. 255-260 6 p.

Research output: Contribution to journalArticle

Ab Initio Quantum Chemical Studies of Reactions in Astrophysical Ices: 2. Reactions in H2CO/HCN/HNC/H2O Ices

Woon, D. E., Jan 1 2001, In : Icarus. 149, 1, p. 277-284 8 p.

Research output: Contribution to journalArticle

1999

Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton

Wilson, A. K., Woon, D. E., Peterson, K. A. & Dunning, T. H., Apr 22 1999, In : Journal of Chemical Physics. 110, 16, p. 7667-7676 10 p.

Research output: Contribution to journalArticle

Quantum scattering calculations for H2S-He between 1-600 K in comparison with pressure broadening, shift, and time resolved double resonance experiments

Ball, C. D., Mengel, M., De Lucia, F. C. & Woon, D. E., Nov 15 1999, In : Journal of Chemical Physics. 111, 19, p. 8893-8903 11 p.

Research output: Contribution to journalArticle

1998