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Physical Chemistry/Inorganic Chemistry/Materials Chemistry

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"Photodissociation of ozonide in O3-.(O2)n (n = 1 - 4) clusters," Jennifer E. Mann, Mary E. Troyer, and Caroline Chick Jarrold, IN PRESS, Journal of Chemical Physics, March, 2015. "Photoelectron Spectra of CeO- and CeO2H2-," Manisha Ray, Jeremy Felton, Jared Kafader, Josey Topolski, and Caroline Chick Jarrold, Journal of Chemical Physics, 142, Article 064305 (2015). "Comparative study of water reactions with Mo2Oy- and W2Oy- clusters: A combined experimental and theoretical investigation," Manisha Ray, Sarah E. Waller, Arjun Saha, Krishnan Raghavachari, and Caroline Chick Jarrold, Journal of Chemical Physics, 141, Article 104310 (2014). "CexOy- (x = 2 - 3) + D2O reactions: Stoichiometric cluster formation from deuteroxide decay and anti-Arrhenius behavior," Jeremy A. Felton, Manisha Ray, Sarah E. Waller, Jared O. Kafader, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 118, 9960-9969 (2014). "RH and H2 production in reactions between ROH and small molybdenum oxide cluster anions," Sarah E. Waller and Caroline Chick Jarrold, Journal of Physical Chemistry A, 118, 8493-8504 (2014). DOI 10.1021/jp502021k . "Measurement of the electron affinity of atomic Ce," Jeremy A. Felton, Manisha Ray, and Caroline Chick Jarrold, Physical Review A, 89, Article 033047 (2014). "A Simple Relationship Between Oxidation State and Electron Affinity in Gas-Phase Metal-oxo Complexes," Sarah E. Waller, Manisha Ray, Bruce L. Yoder, and Caroline Chick Jarrold, Journal of Physical Chemistry A 117, 13919-13925 (2013). "New Insights on Photocatalytic H2 Liberation from Water using Transition Metal Oxides: Lessons from Cluster Models of Molybdenum and Tungsten Oxides," Raghunath Ramabhadran, Jennifer E. Mann, Sarah E. Waller, David W. Rothgeb, Caroline Chick Jarrold and Krishnan Raghavachari, Journal of the American Chemical Society, 135, 17039-17051 (2013). "The Shift from Covalent to Ionic Bonding in Al2MoOy (y = 2 − 4) Anion and Neutral Clusters," Jennifer E. Mann, Sarah E. Waller and Caroline Chick Jarrold, Journal of Physical Chemistry A 117, 12116-12124 (2013). "Asymmetric partitioning of metals among cluster anions and cations generated via laser ablation of mixed aluminum/group 6 transition metal targets," Sarah E. Waller, Jennifer E. Mann, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 117, 1765 (2013). "Study of MoNbOy (y = 2 − 5) Anion and Neutral Clusters Using Photoelectron Spectroscopy and Density Functional Theory Calculations: Impact of Spin Contamination on Single Point Calculations," Sarah E. Waller, Jennifer E. Mann, David W. Rothgeb and Caroline Chick Jarrold, Journal of Physical Chemistry A, 116, 9639-9652 (2012). "Electronic structures of WAlOy and WAlOy− (y = 2 − 4) determined by anion photoelectron spectroscopy and density functional theory calculations," Jennifer E. Mann, Sarah E. Waller and Caroline Chick Jarrold, Journal of Chemical Physics, 137, Article 044301 (2012). "Electronic structures of AlMoOy− (y = 1 − 4) determined by photoelectron spectroscopy and DFT calculations," Sarah E. Waller, Jennifer E. Mann, Ekram Hossain, Mary Troyer and Caroline Chick Jarrold, Journal of Chemical Physics, 137, Article 024302 (2012). "Properties of Metal Oxide Clusters in non-Traditional Oxidation States" Jennifer E. Mann, Nicholas J. Mayhall and Caroline Chick Jarrold, Chemical Physics Letters, 525-6, pages: 1-12 (2012). "Study of Nb2Oy (y = 2 − 5) anion and neutral clusters using photoelectron spectroscopy and density functional theory calculations", Jennifer E. Mann, Sarah E. Waller, David W. Rothgeb and Caroline Chick Jarrold,Journal of Chemical Physics, 135 page 104317 (2011). "Structures of trimetallic molybdenum and tungsten suboxide cluster anions", David W. Rothgeb, Jennifer E. Mann, Sarah E. Waller and Caroline Chick Jarrold, Journal of Chemical Physics, 135, page 104312 (2011). "Resonant two-photon detachment of WO2−", Jennifer E. Mann, Sarah E. Waller, David W. Rothgeb and Caroline Chick Jarrold, Chemical Physics Letters, 506, pages: 31-36 (2011). "Study of MoVOy− (y = 2-5) anion and neutral clusters using anion photoelectron spectroscopy and Density Functional Theory calculations", Jennifer E. Mann, David W. Rothgeb, Sarah E. Waller and Caroline Chick Jarrold, Journal of Physical Chemistry A, 114, page 11312 (2010). "H2 production from reactions between water and small molybdenum suboxide cluster anions", David W. Rothgeb, Jennifer Mann and Caroline Chick Jarrold, Journal of Chemical Physics, 133, 054305 (2010). "CO2 reduction by group 6 metal suboxide cluster anions", Ekram Hossain, David W. Rothgeb, and Caroline Chick Jarrold, Journal of Chemical Physics, 133, Article 024305 (2010). Disparate product distributions observed in Mo(3-x)WxOy− (x = 0) reactions with D2O and CO2, David W. Rothgeb, Ekram Hossain, Jennifer E. Mann, and Caroline C. Jarrold, Journal of Chemical Physics 131, Article 064302 (2010). Termination of the W2Oy−+H2O/D2O → W2Oy+1−+H2/D2 sequential oxidation reaction: An exploration of kinetic versus thermodynamic effects",David W. Rothgeb, Ekram Hossain, Nicholas J. Mayhall, Krishnan Raghavachari, and Caroline C. Jarrold, Journal of Chemical Physics, 131, Article 144306 (2009). "Water reactivity with tungsten oxides: H2 production and kinetic traps", Nicholas J. Mayhall, David W. Rothgeb, Ekram Hossain, Caroline C. Jarrold and Krishnan Raghavachari, Journal of Chemical Physics, 131, Article 144302 (2009). "Structures of MoxW(3−x)O6 (x=0–3) anion and neutral clusters determined by anion photoelectron spectroscopy and density functional theory calculations", David W. Rothgeb, Ekram Hossain, Angela T. Kuo, Jennifer L. Troyer and Caroline C. Jarrold, Journal of Chemical Physics, 131, Article 044310 (2009). "Unusual Products observed in gas phase WxOy− + H2O and D2O reactions"David W. Rothgeb, Ekram Hossain, Angela T. Kuo, Jennifer L. Troyer, Caroline C. Jarrold, Nicholas J. Mayhall and Krishnan Raghavachari, Journal of Chemical Physics, 130, Article 124314 (2009). "Electronic structures of MoWOy− and MoWOy determined by anion photoelectron spectroscopy and DFT calculations",Nicholas J. Mayhall, David W. Rothgeb, Ekram Hossain, Krishnan Raghavachari, and Caroline C. Jarrold, Journal of Chemical Physics, 130, Article 124313 (2009). "Electronic structure of coordinatively unsaturated molybdenum and molybdenum oxide carbonyls", Ekram Hossain and Caroline C. Jarrold, Journal of Chemical Physics, 130, Article 064301 (2009). "Tungsten carbide revisited: New anion PE spectrum and DFT calculations", David W. Rothgeb, Ekram Hossain, and Caroline C. Jarrold, Journal of Chemical Physics, 129, Article 114304 (2008). "Solvation of O2− and O4− by p-difluorobenzene and p-xylene studied by photoelectron spectroscopy", Cheolhwa Kang, Jennifer L. Troyer, Erica M. Robertson, David W. Rothgeb, Ekram Hossain, Richard B. Wyrwas, Charles S. Parmenter, and Caroline C. Jarrold, Journal of Chemical Physics, 128, Article 104309 (2008). "Reactions between CO and small molybdenum suboxide cluster anions", Richard B. Wyrwas, Erica M. Robertson, and Caroline C. Jarrold,Journal of Chemical Physics, 126, Article 214309 (2007). "Production of C6O6 from oligomerization of CO on molybdenum anions", Richard B. Wyrwas and Caroline C. Jarrold, Journal of the American Chemical Society, 128, 13689 (2006). "Addition of NH3 to Al3O3",Richard B. Wyrwas, Caroline Chick Jarrold, Ujjal Das and Krishnan Raghavachari, Journal of Chemical Physics 124, Art. No. 201101 (2006). "Reactivity of small MoxOy clusters toward methane and ethane", Richard B. Wyrwas, Bruce L. Yoder, Joshua T. Maze, and Caroline Chick Jarrold,Journal of Physical Chemistry A 110, 2157-2164 (2006). "Comparison of nickel-group metal cyanides and acetylides and their anions using anion photoelectron spectroscopy and density functional theory calculations", Bappaditya Chatterjee, F. Ahu Akin, Caroline Chick Jarrold and Krishnan Raghavachari, Journal of Physical Chemistry A, 109 6880-6886 (2005). "Structures of Mo2Oy− and Mo2Oy (y = 2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations", Bruce L. Yoder, Joshua T. Maze, Krishnan Raghavachari, and Caroline Chick Jarrold, Journal of Chemical Physics 122 Art. No. 094313 (2005). "Addition of water to Al5O4 determined by anion photoelectron spectroscopy and quantum chemical calculations", Ujjal Das, Krishnan Raghavachari and Caroline Chick Jarrold, Journal of Chemical Physics 122, Art. No. 014313 (2005).

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