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CreatorTitleDescriptionSubjectDate
1 Miller, Joel StevenPhotoelectron spectra of transition-metal carbonyl complexes: comparison with the spectra of adsorbed COThe uv and x-ray photoelectron spectra of carbon monoxide and transition-metal (TM) carbonyl complexes have been studied. The systematic changes in these spectra were recorded as the number of metal atoms in the complexes was increased and as the bonding configuration of the CO changed. The observat...TM carbonyl complexes; electron binding energies; metal atoms1978
2 Miller, Joel StevenSynthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N'-dioxidesThe crystal structures, EPR spectra and magnetic properties of the novel halogen- and cyano-substituted nitronyl nitroxide radicals 2-(2,6-dichlorophenyl)benzimidazolyl N,N'-dioxide, 6, 2-(2,6-difluorophenyl)benzimidazolyl N,N'- dioxide, 7, 2-(2-chloro-6-fluorophenyl)benzimidazolyl N,N'-dioxide, 8,...Organic; Ferromagnetic; Coupling2004
3 Miller, Joel StevenPhotoelectron spectra of transition-metal carbonyl complexes: comparison with the spectra of adsorbed COThe uv and x-ray photoelectron spectra of carbon monoxide and transition-metal (TM) carbonyl complexes have been studied. The systematic changes in these spectra were recorded as the number of metal atoms in the complexes was increased and as the bonding configuration of the CO changed. The observat...TM carbonyl complexes; electron binding energies; metal atoms1978
4 Armentrout, Peter B.Infrared multiple photon dissociation spectroscopy of cationized cysteine: effects of metal cation size on gas-phase conformationAbstract The gas-phase structures of cationized cysteine (Cys) including complexes with Li+, Na+, K+, Rb+, and Cs+, as well as protonated Cys, are examined by infrared multiple photon dissociation (IRMPD) action spectroscopy utilizing light generated by a free electron laser, in conjunction with q...2010
5 Morse, Michael DavidResonant two-photon ionization spectroscopy of BNBTriatomic BNB has been produced by laser ablation of a boron nitride rod in a supersonic expansion of helium carrier gas and has been investigated using resonant two-photon ionization spectroscopy in the visible region. The B? 2IIg?X? 2?u + band system has been recorded near 514 nm and is dominated ...2006
6 Miller, Joel StevenCollinear ferromagnetism and spin orientation in the molecule-based magnets M[N(CN)2]2 (M=Co,Ni)Zero-field unpolarized neutron powder diffraction has been used to study the low-T magnetic structure and T-dependent crystal structure of M[N(CN)2]2 (M=Co,Ni). Both compounds show collinear ferromagnetism with spin orientation along the c axis. The results provide the determination of a complete ma...Magnetic; Diffraction; Structure1999
7 Miller, Joel Steven; Epstein, Arthur J.Quest for molecule-based magnetsIn the past decade a new class of magnets possessing spins on organic species have been discovered and studied. These magnets can be fabricated at room temperature and may enable useful devices and/or processes. Herein we discuss several of the mechanisms that can enable the stabilization of magn...Mechanisms; Ferromagnetic; Spin coupling1996
8 Poulter, Charles Dale; Jiang, YunfengBTS1 encodes a geranylgeranyl diphosphate synthase in Saccharomyces cerevisiaeProtein prenylation utilizes different types of isoprenoids groups, namely farnesyl and geranylgeranyl, to modify proteins. These lipophilic moieties attach to carboxyl-terminal cysteine residues to promote the association of soluble proteins to membranes. Most prenylated proteins are geranylgeranyl...Amino Acid Sequence; Cloning, Molecular; Gene Expression1995-09-15
9 Miller, Joel Steven; Epstein, Arthur J.Local structural order in the disordered vanadium tetracyanoethylene room-temperature molecule-based magnetWe determined the vanadium oxidation state and local coordination environment in disordered samples of magnetic V[TCNE]x(x=2) prepared by chemical vapor deposition (CVD). Systematic studies of the x-ray absorption near-edge structure (XANES) in this material and reference compounds show that V ions ...Magnetic; Solvent; Structure2004
10 Morse, Michael DavidSpectroscopy and electronic structure of jet-cooled NiCuDiatomic nickel-copper, NiCu, has been investigated by resonant two-photon ionization spectroscopy in a jet-cooled molecular beam. Six band systems have been identified over the range 11 500-16 500 cm-1. The ground state of NiCu has been determined to be X 2?5/2, with ?"e = 273.01 ? 1.15 cm-1, ?"exe...1988
11 Voth, Gregory AlanQuantitative assessment of the accuracy of centroid molecular dynamics for the calculation of the infrared spectrum of liquid waterA detailed analysis of the infrared lineshapes corresponding to the intramolecular bond vibrations of HOD in either H2O or D2O is presented here in order to quantitatively assess the accuracy of centroid molecular dynamics in reproducing the correct features of the infrared spectrum of water at amb...2010
12 Borodai, Anastasia S.C-F bond activationActivation of Carbon-Fluorine Bonds in 2', 3', 4', 5', 6'-Pentafluoroacetophenone through a Transition Metal Complex- Manganese PentacarbonylCarbon; Fluorine; Bond; Activation2014-05-30
13 Armentrout, Peter B.The simplest b 2 + ion: determining its structure from its energetics by a direct comparison of the threshold collision-induced dissociation of protonated oxazolone and diketopiperazineEnergy-resolved collision-induced dissociation of b2 + ions derived from protonated GGG and GAG are compared with that of protonated diketopiperazine (H+DKP). Absolute dissociation cross sections are obtained using a guided ion beam tandem mass spectrometer and analyzed using statistical methods. T...2012
14 Minteer, Shelley D.Nickel cysteine complexes as anodic electrocatalysts for fuel cellsCompared to platinum, nickel is an inexpensive catalyst that can oxidize methanol in alkaline media. There is a desire to increase nickel loading during electrodeposition for improved performance. In this paper, a nickel cysteine complex (NiCys) is used as the precursor for electrodeposition on glas...2014-01-01
15 Minteer, Shelley D.Nickel-DNA complexes: bioelectrocatalysis or not?Alkaline fuel cells (AFC) are low temperature, quick-to-start devices that can achieve 50% operating efficiency. Low cost alternatives to platinum group electrocatalysts, which allow for direct reformation are desired. Nickel electrocatalysts are highly active in alkaline for the oxidation of fuels....2013-01-01
16 Minteer, Shelley D.Photobioelectrochemistry: Solar energy conversion and biofuel production with photosynthetic catalystsPhotobioelectrochemical cells are devices which have been developed over the past few decades and use photosynthetic catalysts for solar energy conversion or biofuel production. In this paper, a critical review of reported photobioelectrochemical systems is presented. The systems discussed include s...2014-01-01
17 Armentrout, Peter B.The simplest b2+ ion: determining its structure from its energetics by a direct comparison of the threshold collision-induced dissociation of protonated oxazolone and diketopiperazineEnergy-resolved collision-induced dissociation of b2 + ions derived from protonated GGG and GAG are compared with that of protonated diketopiperazine (H+DKP). Absolute dissociation cross sections are obtained using a guided ion beam tandem mass spectrometer and analyzed using statistical methods. Th...2012-01-01
18 Minteer, Shelley D.Utilizing DNA for electrocatalysis: DNA-Nickel aggregates as anodic electrocatalysts for methanol, ethanol, glycerol, and glucoseDNA-nickel aggregates were electrodeposited onto glassy carbon electrode surfaces and have shown electrocatalytic activity for oxidation of methanol, ethanol, glycerol, and glucose at room temperature in alkaline solutions. Bulk electrolysis oxidation products identified by 13C NMR include carbonate...2013-01-01
19 Voth, Gregory AlanNanostructural organization in acetonitrile/ionic liquid mixtures: molecular dynamics simulations and optical Kerr effect spectroscopyIn this paper, the nanostructural organization and subpicosecond intermolecular dynamics in mixtures of acetonitrile and the ionic liquid (IL) 1-pentyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ([C5mim][NTf2]) were studied as a function of concentration using molecular dynamics (MD) s...2012-01-01
20 Poulter, Charles DalePredicting the functions and specificity of triterpenoid synthases: a mechanism-based multi-intermediate docking approachTerpenoid synthases construct the carbon skeletons of tens of thousands of natural products. To predict functions and specificity of triterpenoid synthases, a mechanism-based, multi-intermediate docking approach is proposed. In addition to enzyme function prediction, other potential applications of ...2014-01-01
21 Armentrout, Peter B.Thermodynamics and mechanisms of protonated diglycine decomposition: a computational studyWe present a full computational description of the fragmentation reactions of protonated diglycine (H+GG). Relaxed potential energy surface scans performed at B3LYP/6-31G(d) or B3LYP/6-311+G(d,p) levels are used to map the reaction coordinate surfaces and identify the transition states (TSs) and int...2012-01-01
22 Armentrout, Peter B.Thermodynamics and mechanism of protonated cysteine decomposition: a guided ion beam and computational studyA quantitative molecular description of the decomposition of protonated cysteine, H+Cys, is provided by studying the kinetic energy dependence of threshold collision-induced dissociation (CID) with Xe using a guided ion beam tandem mass spectrometer (GIBMS). Primary dissociation channels are deamida...2014-01-01
23 Armentrout, Peter B.Thermodynamics and mechanisms of protonated diglycine decomposition: a guided ion beam studyWe present a full molecular description of fragmentation reactions of protonated diglycine (H+GG) by studying their collision-induced dissociation (CID) with Xe using a guided ion beam tandem mass spectrometer (GIBMS). Analysis of the kinetic energy-dependent CID cross sections provides the 0 K barr...2012-01-01
24 Poulter, Charles DaleTetartohedral twinning in IDI-2 from Thermus thermophilus: crystallization under anaerobic conditionsType-2 isopentenyl diphosphate isomerase (IDI-2) is a key flavoprotein involved in the biosynthesis of isoprenoids. Since fully reduced flavin mononucleotide (FMNH2) is needed for activity, it was decided to crystallize the enzyme under anaerobic conditions in order to understand how this reduced co...2014-01-01
25 Minteer, Shelley D.High performance glucose/O2 biofuel cell: effect of utilizing purified laccase with anthracene-modified multi-walled carbon nanotubesLaccase, a blue multicopper oxidoreductase enzyme, is a robust enzyme that catalyzes the reduction of oxygen to water and has been shown previously to perform improved direct electron transfer in a biocathode when mixed with anthracene-modified multi-walled carbon nanotubes. Previous cathode constru...2012-01-01
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