Search Results - "Pellizzeri, Steven"
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Cationic polymer for selective removal of GenX and short-chain PFAS from surface waters and wastewaters at ng/L levels
Published in Water research (Oxford) (15-10-2019)“…The emerging classes of perfluorinated alkyl substances (PFAS) (e.g., Perfluorobutanoic acid (PFBA), perfluorobutane sulfonic acid (PFBS), GenX, ADONA, and…”
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2
A solid-state density functional theory investigation of the structure and vibrational modes of vanadium phosphate polymorphs
Published in Journal of molecular structure (28-09-2011)“…► Three vanadium phosphate polymorphs were compared using infrared spectroscopy. ► The structure and vibrational spectra were modeled using solid-state DFT…”
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3
Spectroscopic Evidence for Interaction of Poly[2-methoxy-5-(2′-ethylhexyloxy)-1,4-phenylenevinylene] Conformers and Single-Walled Carbon Nanotubes in Solvent Dispersions
Published in The journal of physical chemistry. B (30-04-2009)“…Organic photovoltaic devices promise low-cost, flexible options for future renewable energy that will reduce reliance on oil. Single-wall carbon nanotubes…”
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4
A bimetallic oxide network constructed from oxomolybdoarsonate clusters and copper(II)-tetrapyridylpyrazine building blocks
Published in Inorganic chemistry communications (01-11-2011)“…The hydrothermal reaction of Cu(CH 3CO 2) 2·H 2O, MoO 3, tetrapyridylpyrazine (tpyprz), and 2-hydroxypropyl-1,3-diarsonic acid provided green crystals of the…”
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5
Predicting pyrolysis decomposition of PFOA using computational nanoreactors: a thermodynamic study
Published in RSC advances (29-08-2023)“…Per- and polyfluoroalkyl substances (PFAS) are a large, complex, environmentally persistent, and ever-expanding group of manufactured chemicals. Disposal of…”
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6
Sinter‐Resistant Platinum Catalyst Supported by Metal–Organic Framework
Published in Angewandte Chemie (International ed.) (22-01-2018)“…Single atoms and few‐atom clusters of platinum are uniformly installed on the zirconia nodes of a metal‐organic framework (MOF) NU‐1000 via targeted…”
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7
Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene
Published in Catalysis today (15-08-2018)“…[Display omitted] •Single metal cation catalysts were studied for ethene conversion to 1-butene.•Catalysts were supported on 1 the MOF NU-1000 and 2 any…”
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8
Phosphonic acid and alkyl phosphate-derivatized resins for the simultaneous concentration and detection of uranium in environmental waters
Published in Reactive & functional polymers (01-04-2019)“…The objective of this study was to synthesize extractive scintillating resins for the direct, real-time analysis of uranium in neutral pH environmental waters…”
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9
Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)
Published in Journal of solid state chemistry (01-11-2017)“…Three new strontium manganese vanadates, Sr2Mn2(V3O10)(VO4) (I), Sr3Mn(V2O7)2 (II), and Sr2Mn(VO4)2(OH) (III), were prepared using a high temperature (580°C)…”
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10
Using Terahertz Spectroscopy and Solid-State Density Functional Theory to Characterize a New Polymorph of 5‑(4-pyridyl)tetrazole
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16-01-2014)“…A new high-temperature polymorph of 5-(4-pyridyl)tetrazole has been discovered and characterized using X-ray crystallography and terahertz (THz) spectroscopy…”
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11
Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene
Published in Catalysis today (18-02-2018)“…Six first-row transition metal cations (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+) were evaluated as catalysts for ethene dimerization to 1-butene. This is an…”
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12
Using Gas-Phase Clusters to Screen Porphyrin-Supported Nanocluster Catalysts for Ethane Oxidation to Ethanol
Published in Catalysis letters (01-12-2016)“…We demonstrate the use of gas phase metal hydroxide clusters to identify descriptors and generate scaling relationships for predicting catalytic performances…”
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13
Using solid-state density functional theory and terahertz spectroscopy to spectroscopically distinguish the various hydrohalide salts of 5-(4-pyridyl)tetrazole
Published in Journal of molecular structure (24-10-2013)“…[Display omitted] •The THz spectra of hydrohalide salts of 5-(4-pyridyl)tetrazole were compared.•The structure and vibrational spectra were modeled using…”
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14
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)
Published in Inorganica Chimica Acta (30-01-2013)“…Conventional hydrothermal conditions have been exploited in the preparation of a series of novel organic–inorganic hybrid materials of the…”
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15
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
Published in Inorganica Chimica Acta (01-07-2012)“…Hydrothermal syntheses provided two novel members of the {copper(II)–dipodal organoamine ligands}/MoxOy/diphosphonate family of materials. The one-dimensional…”
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16
One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)
Published in Inorganica Chimica Acta (30-09-2012)“…The reactions of Cd(NO3)2·4H2O with imine-tetrazole ligands yielded a series of one- and two-dimensional materials. The two-dimensional structure of…”
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17
A New Model for Quantifying the Extent of Interaction between Soluble Polyphenylene-Vinylenes and Single-Walled Carbon Nanotubes in Solvent Dispersions
Published in The journal of physical chemistry. B (02-09-2010)“…The ability to disperse and, hence, manipulate single-walled carbon nanotubes is critical for their use in organic photovoltaic devices, either as a…”
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18
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
Published in Journal of molecular structure (24-09-2013)“…•The THz spectra of isomorphous metal 5-(4-pyridyl)tetrazolato complexes were compared.•The structure and vibrational spectra were modeled using solid-state…”
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19
Crystal structure and terahertz spectroscopy of α,α,α′,α′-tetrabromo-p-xylene modeled using solid-state density functional theory
Published in Journal of molecular structure (24-01-2014)“…[Display omitted] •The crystal structure of α,α,α′,α′-tetrabromo-p-xylene was determined.•The THz spectra of α,α,α′,α′-tetrabromo-p-xylene was recorded.•The…”
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Journal Article -
20
The solid state simulation of the structure and vibrational modes of organic, hybrid organometallic and inorganic species using the CRYSTAL09 code
Published 01-01-2013“…An investigation of the structural and vibrational information of organic, hybrid organometallic and inorganic species was conducted using solid-state density…”
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Dissertation