Search Results - "DAVIS, Jack"
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The Effect of Dispersion Correction on the Adsorption of CO on Metallic Nanoparticles
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17-09-2015)“…The effect of dispersion corrections at a range of theory levels on the chemisorption properties of metallic nanoparticles is presented. The site preference…”
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Food protein functionality: A comprehensive approach
Published in Food hydrocolloids (01-12-2011)“…Food protein functionality has classically been viewed from the perspective of how single molecules or protein ingredients function in solutions and form…”
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Global Optimization of 8–10 Atom Palladium–Iridium Nanoalloys at the DFT Level
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09-01-2014)“…The global optimization of Pd n Ir(N–n) N = 8–10 clusters has been performed using the Birmingham Cluster Genetic Algorithm (BCGA). Structures were evaluated…”
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Mechanistic Pathways for N2O Elimination from trans-R3Sn-O-NN-O-SnR3 and for Reversible Binding of CO2 to R3Sn-O-SnR3 (R = Ph, Cy)
Published in Inorganic chemistry (16-08-2021)“…The rate and mechanism of the elimination of N2O from trans-R3Sn-O-NN-O-SnR3 (R = Ph (1 Ph ) and R = Cy (1 Cy )) to form R3Sn-O-SnR3 (R = Ph (2 Ph ) and R =…”
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Chemical Descriptors for a Large-Scale Study on Drop-Weight Impact Sensitivity of High Explosives
Published in Journal of chemical information and modeling (13-02-2023)“…The drop-weight impact test is an experiment that has been used for nearly 80 years to evaluate handling sensitivity of high explosives. Although the results…”
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Dinuclear Gold(I) Complexes Bearing Alkyl-Bridged Bis(N-heterocyclic carbene) Ligands as Catalysts for Carboxylative Cyclization of Propargylamine: Synthesis, Structure, and Kinetic and Mechanistic Comparison to the Mononuclear Complex [Au(IPr)Cl]
Published in Organometallics (10-08-2020)“…Eight new dinuclear gold(I) complexes, [Au2(L)X2] (1–8), were synthesized using a straightforward synthetic procedure under very mild conditions. The…”
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Application of a Parallel Genetic Algorithm to the Global Optimization of Gas-Phase and Supported Gold–Iridium Sub-Nanoalloys
Published in Journal of physical chemistry. C (25-02-2016)“…The direct density functional theory global optimization of MgO(100)-supported AuIr sub-nanoalloys is performed using the Birmingham parallel genetic algorithm…”
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Just 2% of SARS-CoV-2—positive individuals carry 90% of the virus circulating in communities
Published in Proceedings of the National Academy of Sciences - PNAS (25-05-2021)“…We analyze data from the fall 2020 pandemic response efforts at the University of Colorado Boulder, where more than 72,500 saliva samples were tested for…”
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Investigation of the Synthesis and Energetic Properties of an ANTA-Based Energetic Plasticizer
Published in Journal of organic chemistry (01-11-2024)“…Energetic plasticizers are being sought for their use in energetic formulations when combined with explosives. An energetic plasticizer based on the…”
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Army Nurse Corps Coronavirus Disease (COVID-19) Lessons Learned
Published in Military medicine (01-09-2021)“…A new strain of coronavirus (COVID-19) emerged in 2020 changing the way the nation looked, worked and lived. In response to this unprecedented COVID-19…”
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The Lord of the Gold Rings: The Griffin Warrior of Pylos
Published in Hesperia (01-10-2016)“…In May 2015, a University of Cincinnati team unexpectedly discovered a large stone-built tomb of Late Helladic IIA date near Tholos Tomb IV on the first day of…”
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A Thousand Thirsty Beaches: Smuggling Alcohol from Cuba to the South during Prohibition by Lisa Lindquist Dorr (review)
Published in Cuban studies (2021)Get full text
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Unique Aluminum Clusters Stabilized by Cation‐Ligand Cooperativity
Published in European journal of inorganic chemistry (12-03-2024)“…Two novel cyclic Al3 clusters, Li2[Al3(PR2)6] ⋅ 2(Et2O) [R=Ph (1), Cy (2)] were synthesized through salt metathesis of metastable AlCl ⋅ (Et2O)n solutions with…”
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Pseudomonas aeruginosa increases the susceptibility of Candida albicans to amphotericin B in dual-species biofilms
Published in Journal of antimicrobial chemotherapy (05-09-2023)“…Abstract Background Biofilms are the leading cause of nosocomial infections and are hard to eradicate due to their inherent antimicrobial resistance. Candida…”
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Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity
Published in Chemical science (Cambridge) (28-06-2023)“…Determining the factors that influence and can help predict energetic material sensitivity has long been a challenge in the explosives community. Decades of…”
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KI-impregnated oyster shell as a solid catalyst for soybean oil transesterification
Published in Bioresource technology (01-01-2012)“…► KI-impregnated oyster shell as base catalyst for transesterification. ► Calcination and KI loading enhances surface area and efficacy. ► Transesterification…”
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Novel Strategy To Create Hypoallergenic Peanut Protein–Polyphenol Edible Matrices for Oral Immunotherapy
Published in Journal of agricultural and food chemistry (23-07-2014)“…Peanut allergy is an IgE-mediated hypersensitivity. Upon peanut consumption by an allergic individual, epitopes on peanut proteins bind and cross-link…”
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The Combat Agate from the Grave of the Griffin Warrior at Pylos
Published in Hesperia (01-10-2017)“…The Pylos Combat Agate, in our view a Cretan work of Late Minoan I, may be the finest example of glyptic art yet discovered in a Minoan or Mycenaean context…”
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Investigation into a Conformationally Locked (Z)-Azidoxime
Published in Journal of organic chemistry (20-10-2023)“…High nitrogen compounds find wide use in the development of new propellants and explosives as well as pharmaceutical chemistry as bioisosteres, bacterial…”
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