Browsing Τμήμα Χημείας / Department of Chemistry by Title
Now showing items 490-509 of 1299
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Halogen derivatives of m-phenylene(carbeno)nitrene: A switch in ground-state multiplicity
(2002)m-Phenylene-coupled carbenonitrenes [(3-nitrenophenyl)methylene (2-H), (3-nitrenophenyl)fluoromethylene (2-F), (3-nitrenophenyl)chloromethylene (2-Cl), (3-nitrenophenyl)bromomethylene (2-Br)] have been investigated ...
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Heats of formation from G2, G2(MP2), and G2(MP2,SVP) total energies
(1996)The translation of G2, G2(MP2), and G2(MP2,SVP) total energies to heats of formation via atomization and formation reaction procedures is evaluated. While both approaches give similar results, the former is shown to perform ...
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Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulations
(2013)Specific ion effects on oligopeptide conformations in solution are attracting strong research attention, because of their impact on the protein-folding problem and on several important biological-biotechnological applications. ...
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Heterogeneity in nanocomposite hydrogels from poly(ethylene oxide) cross-linked with silicate nanoparticles
(2009)We investigate the influence of ionic strength on the structural heterogeneity and viscoelastic properties of nanocomposite hydrogels. We use small-angle scattering and rheology to monitor structural changes as a function ...
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Heterometallic FeIII-CeIV complexes from the use of aliphatic aminoalcohol ligands
(2013)Six novel heteronuclear FeIII/CeIV clusters with the ligands 3-amino-1-propanol (Hap) and 2-(hydroxymethyl)piperidine (Hhmpip) [FeIII4CeIV6O8(L) 4((CH3)3CCO2)12(RCO 2)4] (R = CH3, L = ap-, 1
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Heterometallic MnIII4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic MnIII4MnII2 Analogues
(2017)The employment of di-2-pyridyl ketone, (py)2CO, in heterometallic Mn/4f and homometallic Mn cluster chemistry has yielded six MnIII4Ln2 and two MnIII4MnII2 structurally related clusters, namely, [Mn4Ln2O2{(py)2CO2}4(NO3) ...
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A hexameric [Mn III 18 Na6] wheel based on [Mn III 3 O]7+ sub-units
(2016)A novel hexameric [MnIII18Na6] wheel-like aggregate consisting of [MnIII3O] triangles is reported. It is the second highest nuclearity oxime-based Mn cluster, the largest member of the recently-developed family of molecular ...
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Hexanuclear complexes from the use of a series of amino-alcohol ligands in Fe chemistry
(2013)Eight novel FeIII6 clusters with the amino-alcohol ligands 3-amino-1-propanol (apH), N-hydroxyethylpiperidine (N-hepipH), 2-hydroxyethylpiperidine (2-hepipH), 2-aminobenzylalcohol (2-abzaH), N-hydroxyethylmorpholine ...
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Hexanuclear zinc(II) carboxylate complexes from the use of pyridine-2,6-dimethanol: Synthetic, structural and photoluminescence studies
(2013)The employment of pyridine-2,6-dimethanol (pdmH2) in zinc(II) carboxylate chemistry is reported. The syntheses, crystal structures, and spectroscopic characterization are described for the structurally similar cluster ...
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High nuclearity single-molecule magnets: A mixed-valence Mn26 cluster containing the di-2-pyridylketone diolate dianion
(2008)The employment of the dianion (dpkd2-) of the gem-diol form of di-2-pyridylketone (dpk) as a tetradentate chelate in manganese chemistry is reported, and the synthesis, crystal structure, and magnetochemical characterization ...
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High-molecular-weight symmetrical multiblock copolymers: Synthesis by RAFT polymerization and characterization
(2013)High-molecular-weight (MW) symmetrical multiblock copolymers, based on the hydrophobic monomers styrene (Sty) and methyl methacrylate (MMA), and the more polar monomer, 2-vinyl pyridine (2VPy), were prepared using stepwise ...
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High-nuclearity Ce/Mn and Th/Mn cluster chemistry: Preparation of complexes with [Ce4Mn10O10(OMe)6] 18+ and [Th6Mn10O22(OH) 2]18+ cores
(2007)The syntheses, structures, and magnetic properties are reported of the mixed-metal complexes [Ce4Mn10O10(OMe) 6(O2-CPh)16(NO3)2(MeOH) 2(H2O)2] (1) and [Th6Mn 10O22(OH)2(O2CPh) 16-(NO3)2(H2O)8] (2), which were both prepared ...
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A highly porous interpenetrated metal-organic framework from the use of a novel nanosized organic linker
(2011)The initial use of a novel elongated tricarboxylic acid H3hmpib in metal-organic framework (MOF) chemistry resulted in a [Zn4O(hmpib) 2] MOF (UCY-1) with pyrite topology. The compound displays a remarkably high internal ...
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HIV-1 integrase: From biology to chemotherapeuticsAAA
(2007)AIDS has claimed the lives of 25 million people worldwide, an additional 40 million people are HIV-infected and new cases are being diagnosed every year. Despite the fact that HAART has moved AIDS from the category of ...
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Article
Hofmeister anion effects on surfactant self-assembly and the formation of mesoporous solids
(2002)Recent work on mesoporous silica formation using cationic and non-ionic templates has unveiled a large number of anion effects. Anions are seen to change the hydrolysis rates of the silicate precursors, affecting the surface ...
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Homometallic {Mn10} and heterometallic {Mn6Ca4} supertetrahedra exhibiting an unprecedented {MnIII9MnII} oxidation state level and heterometal ions distribution
(2018)Two novel decametallic clusters displaying a supertetrahedral structural core are discussed, a homometallic compound [MnIII9MnII(μ4-O)4(μ3-OMe)3(btH)3(ed)3(PhCO2)6]·6Η2Ο (1·6Η2Ο) (btH3 = (±)-1,2,4-butanetriol
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Hula-twist photoisomerization of a styrene derivative examined by argon-matrix-infrared-spectroscopic method
(2006)IR spectra of α-cyano- o -fluorocinnamonitrile, its vinyl deuterated analogue and the corresponding photoproducts were recorded under Ar matrix isolation conditions (13K). An analysis of the IR spectra, assisted by ...
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Article
Hydrogen production by ethylene decomposition over Ni supported on novel carbon nanotubes and nanofibers
(2005)Ethylene decomposition over Ni supported on novel carbon nanotubes (CNT) and nanofibers under consecutive reaction/regeneration cycles to form CO-free hydrogen and carbon deposits have been investigated. The present work ...
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Hydrogen Surface Concentration Effect on the Temperature-Programmed Hydrogenation of Adsorbed Carbonaceous Species on an Iron/Alumina Catalyst
(1993)Temperature-programmed hydrogenation (TPH) of adsorbed carbonaceous species on metallic catalysts is a useful method to measure their numbers and reactivities. In the present paper it is shown that changes in the T.P.H ...