Publications for Meredith Jordan
Publications for Meredith Jordan
2015
D'Arcy, J., Kolmann, J., Jordan, M. (2015).
"Plug-and-play" potentials: Investigating
quantum effects in (H2)2-Li+-benzene. Journal
of Chemical Physics, 143(7),
074311-1-074311-12. <a
href="http://dx.doi.org/10.1063/1.4928760">[Mo
re Information]</a>
Bauer, T., Jager, C., Jordan, M., Clark, T. (2015).
A multi-agent quantum Monte Carlo model for
charge transport: Application to organic
field-effect transistors. Journal of Chemical
Physics, 143(4), 044114-1-044114-9. <a
href="http://dx.doi.org/10.1063/1.4927397">[Mo
re Information]</a>
D'Arcy, J., Jordan, M., Frankcombe, T., Collins,
M. (2015). H2 adsorption in a porous crystal:
Accurate first-principles quantum simulation.
The Journal of Physical Chemistry Part A:
Molecules, Spectroscopy, Kinetics, Environment
and General Theory, 119(50), 12166-12181. <a
href="http://dx.doi.org/10.1021/acs.jpca.5b06074
">[More Information]</a>
Lindoy, L., Kolmann, J., D'Arcy, J., Crittenden,
D., Jordan, M. (2015). Path integral Monte Carlo
simulations of H2 adsorbed to lithium-doped
benzene: A model for hydrogen storage
materials. Journal of Chemical Physics, 143(19),
194302-1-194302-10. <a
href="http://dx.doi.org/10.1063/1.4932940">[Mo
re Information]</a>
2014
Morris, M., Jordan, M. (2014). Generating
accurate dipole moment surfaces using modified
Shepard interpolation. Journal of Chemical
Physics, 140(20), 1-12. <a
href="http://dx.doi.org/10.1063/1.4869689">[Mo
re Information]</a>
Lee, K., Quinn, M., Maccarone, A., Nauta, K.,
Houston, P., Reid, S., Jordan, M., Kable, S.
(2014). Two roaming pathways in the photolysis
of CH3CHO between 328 and 308 nm. Chemical
Science, 5(12), 4633-4638. <a
href="http://dx.doi.org/10.1039/c4sc02266a">[M
ore Information]</a>
2013
Andrews, D., Kable, S., Jordan, M. (2013). A
phase space theory for roaming reactions. The
Journal of Physical Chemistry Part A:
Molecules, Spectroscopy, Kinetics, Environment
and General Theory, 117(32), 7631-7642. <a
href="http://dx.doi.org/10.1021/jp405582z">[Mo
re Information]</a>
Hobday, N., Quinn, M., Nauta, B., Andrews, D.,
Jordan, M., Kable, S. (2013). Experimental and
theoretical investigation of triple fragmentation
in the photodissociation dynamics of H(2)CO.
The Journal of Physical Chemistry Part A:
Molecules, Spectroscopy, Kinetics, Environment
and General Theory, 117(46), 12091-12103. <a
href="http://dx.doi.org/10.1021/jp404895y">[M
ore Information]</a>
Morris, M., Jordan, M. (2013). Modeling
molecular response in uniform and non-uniform
electric fields. Journal of Chemical Physics,
138(5), 1-9. <a
href="http://dx.doi.org/10.1063/1.4788833">[Mo
re Information]</a>
Kolmann, J., D'Arcy, J., Jordan, M. (2013).
Quantum effects and anharmonicity in the
H(2)-Li(+)-benzene complex: A model for
hydrogen storage materials. Journal of Chemical
Physics, 139(23), 1-10. <a
href="http://dx.doi.org/10.1063/1.4831715">[Mo
re Information]</a>
2012
Andrews, D., Heazlewood, B., Maccarone, A.,
Conroy, T., Payne, R., Jordan, M., Kable, S.
(2012). Photo-tautomerization of acetaldehyde to
vinyl alcohol: A potential route to tropospheric
acids. Science, 337(6099), 1203-1206. <a
href="http://dx.doi.org/10.1126/science.1220712
">[More Information]</a>
Clubb, A., Jordan, M., Kable, S., Osborn, D.
(2012). Phototautomerization of acetaldehyde to
vinyl alcohol: A primary process in
UV-irradiated acetaldehyde from 295 to 335 nm.
Journal of Physical Chemistry Letters, 3(23),
3522-3526. <a
href="http://dx.doi.org/10.1021/jz301701x">[Mo
re Information]</a>
de Wit, G., Heazlewood, B., Quinn, M.,
Maccarone, A., Nauta, B., Reid, S., Jordan, M.,
Kable, S. (2012). Product state and speed
distributions in photochemical triple
fragmentations. Faraday Discussions,
157(2012), 227-241. <a
href="http://dx.doi.org/10.1039/c2fd20015e">[M
ore Information]</a>
Jordan, M., Kable, S. (2012). Roaming reaction
pathways along excited states. Science,
335(6072), 1054-1055. <a
href="http://dx.doi.org/10.1126/science.1218767
">[More Information]</a>
Yamamoto, I., Jordan, M., Gavande, N.,
Doddareddy, M., Chebib, M., Hunter, L. (2012).
The enantiomers of
syn-2,3-difluoro-4-aminobutyric acid elicit
opposite responses at the GABA(C) receptor.
Chemical Communications, 48(6), 829-831. <a
href="http://dx.doi.org/10.1039/c1cc15816c">[
Publications for Meredith Jordan
More Information]</a>
2011
Heazlewood, B., Maccarone, A., Andrews, D.,
Osborn, D., Harding, L., Klippenstein, S.,
Jordan, M., Kable, S. (2011). Near-threshold
H/D exchange in CD(3)CHO photodissociation.
Nature Chemistry, 3(6), 443-448. <a
href="http://dx.doi.org/10.1038/NCHEM.1052">
[More Information]</a>
Hunter, L., Jolliffe, K., Jordan, M., Jensen, P.,
Macquart, R. (2011). Synthesis and
conformational analysis of
alpha,beta-difluoro-gamma-amino acid
derivatives. Chemistry: A European Journal,
17(8), 2340-2343. <a
href="http://dx.doi.org/10.1002/chem.201003320
">[More Information]</a>
2010
Kolmann, J., Jordan, M. (2010). Method and
basis set dependence of anharmonic ground state
nuclear wave functions and zero-point energies:
Application to SSSH. Journal of Chemical
Physics, 132(5), 1-10. <a
href="http://dx.doi.org/10.1063/1.3276064">[Mo
re Information]</a>
Banister, S., Moussa, I., Jordan, M., Coster, M.,
Kassiou, M. (2010). Oxo-bridged isomers of
aza-trishomocubane sigma (o) receptor
ligands: Synthesis, in vitro binding, and
molecular modeling. Bioorganic and Medicinal
Chemistry Letters: the tetrahedron journal for
research at the interface of chemistry and
biology, 20(1), 145-148. <a
href="http://dx.doi.org/10.1016/j.bmcl.2009.11.0
19">[More Information]</a>
2009
Jordan, M., Castro, J. (2009). Determination of
particle size for colloidal dispersions: An
APCELL experiment. The Australian Journal of
Education in Chemistry, 69, 25-28.
Kolmann, J., Jordan, M. (2009). Interpolated
potential energy surfaces. XXII Dynamics of
Molecular Collisions Meeting.
Kable, S., Heazlewood, B., Maccarone, A.,
Jordan, M. (2009). Isotopic exchange
mechanisms implicated in the photodissociation
dynamics of acetaldehyde-d3. 30th International
Symposium on Free Radicals, N/A: N/A.
Heazlewood, B., Rowling, S., Maccarone, A.,
Jordan, M., Kable, S. (2009). Photochemical
formation of HCO and CH(3) on the ground S(0)
((1)A') state of CH(3)CHO. Journal of Chemical
Physics, 130(5), 054310-1-054310-8. <a
href="http://dx.doi.org/10.1063/1.3070517">[Mo
re Information]</a>
Kable, S., Heazlewood, B., Maccarone, A.,
Jordan, M. (2009). Photodissociation dynamics
of acetaldehyde-d3: It's the little things that
count. International Conference on Advanced
Vibrational Spectroscopy, N/A: N/A.
Kable, S., Heazlewood, B., Maccarone, A.,
Jordan, M. (2009). Photodissociation dynamics
of aldehydes. Gordon Research Conference,
N/A: N/A.
2008
Kolmann, J., Chan, B., Jordan, M. (2008).
Modelling the interaction of molecular hydrogen
with lithium-doped hydrogen storage materials.
Chemical Physics Letters, 467, 126-130. <a
href="http://dx.doi.org/10.1016/j.cplett.2008.10.
081">[More Information]</a>
Heazlewood, B., Jordan, M., Kable, S., Selby, T.,
Osborn, D., Shepler, B., Braams, B., Bowman, J.
(2008). Roaming is the dominant mechanism for
molecular products in acetaldehyde
photodissociation. Proceedings of the National
Academy of Sciences of the United States of
America (PNAS), 105(35), 12719-12724. <a
href="http://dx.doi.org/10.1073/pnas.080276910
5">[More Information]</a>
2007
Jordan, M., Crittenden, D., Thompson, K.
(2007). Quantum effects in loosley bound
complexes. In James B Anderson and Stuart M
Rothstein (Eds.), Advances in Quantum Monte
Carlo, (pp. 101-140). USA: American Chemical
Society.
2006
Thompson, K., Crittenden, D., Kable, S., Jordan,
M. (2006). A classical trajectory study of the
photodissociation of T-1 acetaldehyde: The
transition from impulsive to statistical dynamics.
Journal of Chemical Physics, 124(4),
044302-1-044302-15.
Crittenden, D., Park, A., Qiu, J., Silverman, R.,
Duke, R., Johnston, G., Jordan, M., Chebib, M.
(2006). Enantiomers of cis-constrained and
flexible 2-substituted GABA analogues exert
opposite effects at recombinant GABA(C)
receptors. Bioorganic and Medicinal Chemistry,
14(2), 447-455. <a
href="http://dx.doi.org/10.1016/j.bmc.2005.08.0
37">[More Information]</a>
2005
Crittenden, D., Chebib, M., Jordan, M. (2005). A
quantitative structure-activity relationship
investigation into agonist binding at GABA C
receptors. Computational and Theoretical
Chemistry, 755, 81-89.
Thompson, K., Crittenden, D., Jordan, M.
Publications for Meredith Jordan
(2005). CH5+: Chemistry's chameleon
unmasked. Journal of the American Chemical
Society, 127(13), 4954-4958.
Crittenden, D., Jordan, M. (2005). Interpolated
potential energy surfaces: How accurate do the
second derivatives have to be? Journal of
Chemical Physics, 122(4), 044102-1-044102-6.
Crittenden, D., Thompson, K., Jordan, M.
(2005). On the extent of intramolecular hydrogen
bonding in gas-phase and hydrated
1,2-ethanediol. The Journal of Physical
Chemistry Part A: Molecules, Spectroscopy,
Kinetics, Environment and General Theory,
109(12), 2971-2977.
Crittenden, D., Chebib, M., Jordan, M. (2005).
Stabilization of zwitterions in solution: GABA
analogues. The Journal of Physical Chemistry
Part A: Molecules, Spectroscopy, Kinetics,
Environment and General Theory, 109(18),
4195-4201. <a
href="http://www.ncbi.nlm.nih.gov/entrez/query.
fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract
&list_uids=16833745">[More Information]</a>
Crittenden, D., Kumar, R., Hanrahan, J., Chebib,
M., Jordan, M. (2005). Stabilization of
zwitterions in solution: Phosphinic and
phosphonic acid GABA analogues. The Journal
of Physical Chemistry Part A: Molecules,
Spectroscopy, Kinetics, Environment and
General Theory, 109(37), 8398-8409. <a
href="http://www.ncbi.nlm.nih.gov/entrez/query.
fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract
&list_uids=16834233">[More Information]</a>
2004
Crittenden, D., Chebib, M., Jordan, M. (2004).
Stabilization of Zwitterions in Solution:
γ-Aminobutyric Acid (GABA). The Journal of
Physical Chemistry Part A: Molecules,
Spectroscopy, Kinetics, Environment and
General Theory, 108(1), 203-211.
2003
Jordan, M., Thompson, K. (2003). The response
of a molecule to an external electric field:
predicting structural and spectroscopi change.
Chemical Physics Letters, 370(1-2), 14-20.
2002
Jordan, M., Del Bene, J. (2002). To What Extent
Do External Fields and Vibrational and Isotopic
Effects Influence NMR Coupling Constants
Across Hydrogen Bonds? Two-Bond Cl-N
Spin-Spin Coupling Constants (2hJCl-N) in
Model ClH:NH3 Complexes. The Journal of
Physical Chemistry Part A: Molecules,
Spectroscopy, Kinetics, Environment and
General Theory, 106(21), 5385-5392.
2001
Bevitt, J., Chapman, K., Crittenden, D., Jordan,
M., Del, B. (2001). An ab initio study of
anharmonicity and field effects in
hydrogen-bonded complexes of the deuterated
analogues of HCl and HBr with NH3 and
N(CH3)3. The Journal of Physical Chemistry
Part A: Molecules, Spectroscopy, Kinetics,
Environment and General Theory, 105(13),
3371-3378.
Toh, J., Jordan, M., Husowitz, B., Del, B. (2001).
Can proton-shared or ion-pair N-H-N hydrogen
bonds be produced in uncharged complexes? A
systematic ab initio study of the structures and
selected NMR and IR properties of complexes
with N-H-N hydrogen bonds. The Journal of
Physical Chemistry Part A: Molecules,
Spectroscopy, Kinetics, Environment and
General Theory, 105, 10906-10914.
Chapman, K., Crittenden, D., Bevitt, J., Jordan,
M., Del, B. (2001). Relating environmental
effects and structures, IR, and NMR properties of
hydrogen-bonded complexes: CIH:Pyridine. The
Journal of Physical Chemistry Part A:
Molecules, Spectroscopy, Kinetics, Environment
and General Theory, 105, 5442-5449.
Jordan, M., Toh, J., Del, B. (2001). Vibrational
averaging of NMR properties for an N-H-N
hydrogen bond. Chemical Physics Letters,
346(3-4), 288-292.
Del, B., Jordan, M., Perera, S., Bartlett, R.
(2001). Vibrational effects on the F-F spin-spin
coupling constant (2hJF-F) in FHF- and FDF-.
The Journal of Physical Chemistry Part A:
Molecules, Spectroscopy, Kinetics, Environment
and General Theory, 105(37), 8399-8402.
Jordan, M., Del, B. (2001). What a difference a
decade makes: Progress in ab initio studies of the
hydrogen bond. Computational and Theoretical
Chemistry, 573, 11-23.