David E Woon

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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
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

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., 2007, In : Journal of Physical Chemistry A. 111, 44, p. 11185-11188 4 p.

Research output: Contribution to journalArticle

2006

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

Benchmark calculations with correlated molecular wave functions. IX. the weakly bound complexes Ar-H2 and Ar-HCl

Woon, D. E., Peterson, K. A. & Dunning, T. H., Dec 1 1998, In : Journal of Chemical Physics. 109, 6, p. 2233-2241 9 p.

Research output: Contribution to journalArticle

The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets

Van Mourik, T., Wilson, A. K., Peterson, K. A., Woon, D. E. & Dunning, T. H., Dec 1 1998, In : Advances in Quantum Chemistry. 31, C, p. 105-135 31 p.

Research output: Contribution to journalArticle

1997

A correlated ab initio study of the Ã2Π ← Χ̃ 2Σ+ transition in MgCCH

Woon, D. E., Aug 1 1997, In : Chemical Physics Letters. 274, 1-3, p. 299-305 7 p.

Research output: Contribution to journalArticle