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Displaying Results 3176 - 3200 of 3821 on page 128 of 153

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Conformations of myoglobin-derived peptides at the air-water interface (2016)

Cheung, David L.

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Chemical and electrical characterisation of the segregation of Al from a CuAl alloy (90%:10% wt) with thermal anneal (2016)

Byrne, Conor; Brady, Anita; Walsh, Lee; McCoy, Anthony; Bogan, Justin; McGlynn, Enda; V...

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Design, synthesis and evaluation of organocatalysts in 1,4-conjugate additions to nitroolefins and alkylidene malonates (2012)

Gavin, Declan P.

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Enhanced photostability of a Ruthenium(II) Polypyridyl Complex under highly oxidizing aqueous conditions by its partial inclusion into a cyclodextrin (2016)

Farràs, Pau; Waller, Helen; Benniston, Andrew C.

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Demonstration of Promoted Zinc Schlenk Equilibria, their Equilibrium Values and Derived Reactivity (2007)

Blake, Alexander J.; Shannon, Jonathan; Stephens, John C.; Woodward, Simon

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Computational Development of Selective nNOS Inhibitors: Binding Modes and Pharmacokinetic Considerations (2015)

Curtin, A.M.; Kinsella, Gemma K.; Stephens, John C.

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Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media (2016)

Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B.P.; Jolliffe, Katrina A.

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Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase QM calculations (2013)

Fadda, Elisa; Woods, Robert J.

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Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase (2011)

Henry, Rowan M.; Caplan, David; Fadda, Elisa; Pomès, Régis

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Adding glycolipid functionality to model membranes – phase behaviour of a synthetic glycolipid in a phospholipid membrane (2014)

Migas, Urszula M.; Abbey, Lorna; Velasco-Torrijos, Trinidad; McManus, Jennifer J.

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Vacuum Ultraviolet Spectroscopy and Photochemistry of Zinc Dihydride and Related Molecules in Low-Temperature Matrices (2013)

Henchy, Chris; Gilmartin, Una; McCaffrey, John G.

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A DFT study of reversed isotope shifts in H/D substitution of free-base porphyrin and related free-base tetrapyrroles (2012)

Henchy, Christopher; Murray, Ciaran; Crepin, Claudine; McCaffrey, John G.

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Structure-function analyses of the interactions between Rab11 and Rab14 small GTPases with their shared effector Rab coupling protein (RCP) (2015)

BOND, URSULA; KHAN, AMIR

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Molecular Interactions of Human Plasminogen with Fibronectin-binding Protein B (FnBPB), a Fibrinogen/Fibronectin-binding Protein from Staphylococcus aureus. (2016)

GEOGHEGAN, JOAN; FOSTER, TIMOTHY

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Chemotactic ionic liquid droplets: striving to mimic nature (2016)

Delaney, Colm; Francis, Wayne; Florea, Larisa; Diamond, Dermot

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Emerging nanonisation technologies: tailoring crystalline versus amorphous nanomaterials (2015)

HEALY, ANNE

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Pushing up the magnetisation values for iron oxide nanoparticles: Via zinc doping: X-ray studies on the particle's sub-nano structure of different synthesis routes (2016)

NICOLOSI, VALERIA

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Monte Carlo configuration interaction with perturbation corrections for dissociation energies of first row diatomic molecules: C-2, N-2, O-2, CO, and NO (2014)

Kelly, Thomas P.; Perera, Ajith; Bartlett, Rodney J.; Greer, James C.

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Conformational and structural studies of meso monosubstituted metalloporphyrins - Edge-on molecular interactions of porphyrins in crystals (2016)

SENGE, MATHIAS

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Contribution of bacteriochlorophyll conformation to the distribution of site-energies in the FMO protein (2016)

SENGE, MATHIAS

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A two-pronged attack on DNA: Targeting guanine quadruplexes with nonplanar porphyrins and DNA-binding small molecules (2016)

ROZAS, ISABEL; SENGE, MATHIAS

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Nucleophilic Aromatic Substitution on Pentafluorophenyl-Substituted Dipyrranes and Tetrapyrroles as a Route to Multifunctionalized Chromophores for Potential Application in Photodynamic Therapy (2016)

SENGE, MATHIAS

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Lewis acid induced anomerization of se-glycosides. Application to synthesis of alpha-Se-GalCer (2016)

McDonagh, Anthony W.; Mahon, Mary F.; Murphy, Paul V.

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An investigation into the photochemistry of, and the electrochemically induced CO-loss from, [(CO)5MC(OMe)Me](M = Cr or W) using low-temperature matrix isolation, picosecond infrared spectroscopy, cyclic voltammetry, and time-dependent density functional theory (2015)

McMahon, Suzanne; Amirjalayer, Saeed; Buma, Wybren J.; Halpin, Yvonne; Long, Conor; Roo...

McMahon, Suzanne; Amirjalayer, Saeed; Buma, Wybren J.; Halpin, Yvonne; Long, Conor; Rooney, A. Denise; Woutersenc, Sander; Pryce, Mary T.

Abstract:

The photophysics and photochemistry of [(CO)5MC(OMe)Me] (M = Cr or W) were investigated using picosecond time-resolved infrared spectroscopy (M = Cr or W), low-temperature matrix isolation techniques (M = Cr), and time-dependent density functional calculations (M = Cr or W). These studies provide unambiguous evidence for the photochemical formation of a long-lived, 18-electron metallaketene species capable of acting as a synthetically useful intermediate. For the Cr complex, an intermediate metallacyclopropanone singlet excited state was detected on the reaction path to the metallaketene species. This metallacyclopropanone excited state species has a lifetime of less than 100 ps and a characteristic bridging carbonyl band at 1770 cm−1. The tungsten ketene species was also detected but in contrast to the chromium system, this forms directly from a low-lying triplet excited state. The electrochemical release of CO showed a greater efficiency for the chromium complex when compared to t...