Publications
Highlights
For a full list see below or visit Google Scholar.
2026
Expanded Group Additivity Framework for Thermochemical Prediction of Fluorocarbons and PFAS from Large-Scale DFT Data
2023
Predicting pyrolysis decomposition of PFOA using computational nanoreactors: a thermodynamic study
2019
Cationic polymer for selective removal of GenX and short-chain PFAS from surface waters and wastewaters at ng/L levels
2018
Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene
2018
Sinter‐Resistant Platinum Catalyst Supported by Metal–Organic Framework
2016
Using Gas-Phase Clusters to Screen Porphyrin-Supported Nanocluster Catalysts for Ethane Oxidation to Ethanol
Full List (* undergraduate student ‡ master's student)
2026
Expanded Group Additivity Framework for Thermochemical Prediction of Fluorocarbons and PFAS from Large-Scale DFT Data
2023
Predicting pyrolysis decomposition of PFOA using computational nanoreactors: a thermodynamic study
2020
Single crystal neutron and magnetic measurements of Rb2Mn3(VO4)2CO3 and K2Co3(VO4)2CO3 with mixed honeycomb and triangular magnetic lattices
Influence of spin state and electron configuration on the active site and mechanism for catalytic hydrogenation on metal cation catalysts supported on NU-1000: insights from experiments and microkinetic modeling
2019
Phosphonic acid and alkyl phosphate-derivatized resins for the simultaneous concentration and detection of uranium in environmental waters
Cationic polymer for selective removal of GenX and short-chain PFAS from surface waters and wastewaters at ng/L levels
2018
Sinter‐Resistant Platinum Catalyst Supported by Metal–Organic Framework
Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene
2017
Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)
2016
Using Gas-Phase Clusters to Screen Porphyrin-Supported Nanocluster Catalysts for Ethane Oxidation to Ethanol
2014
Using Terahertz Spectroscopy and Solid-State Density Functional Theory to Characterize a New Polymorph of 5-(4-pyridyl)tetrazole
Crystal structure and terahertz spectroscopy of α,α,α′,α′-tetrabromo-p-xylene modeled using solid-state density functional theory
2013
Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper–bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2′:4′,4″:2″,2″′-quarterpyridyl-6′,6″-di-2-pyridine)
A solid-state density functional theory investigation of the effect of metal substitution (Metal = Mn, Cd, Co) on the terahertz spectra of isomorphous molecular metal 5-(4-pyridyl)tetrazolato complexes
Using solid-state density functional theory and terahertz spectroscopy to spectroscopically distinguish the various hydrohalide salts of 5-(4-pyridyl)tetrazole
2012
Novel building units in the construction of materials of the oxomolybdate–organodiphosphonate/copper(II)–dipodal-organonitrogen ligand system: Structural influences of dipodal ligand tether length and flexibility
One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)
2011
A solid-state density functional theory investigation of the structure and vibrational modes of vanadium phosphate polymorphs
2010
A New Model for Quantifying the Extent of Interaction between Soluble Polyphenylene-Vinylenes and Single-Walled Carbon Nanotubes in Solvent Dispersions
2009
Spectroscopic Evidence for Interaction of Poly[2-methoxy-5-(2′-ethylhexyloxy)-1,4-phenylenevinylene] Conformers and Single-Walled Carbon Nanotubes in Solvent Dispersions