13 items found

Tags: Computational Biology Environmental Sciences not elsewhere classified Physiology keywords.Physical and Theoretical Chemistry

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  • publication

    On the Stereospecific Conversion of Proximally-Oxygenated Trisubstituted Viny...

    Allylically oxygenated vinyl α-triphenylstannanes such as 22 can be readily converted into vinyl iodides and thereafter stereodefined trisubstituted alkenes with retention of...
  • publication

    The reduction of oxygen in various room temperature ionic liquids in the temp...

    The voltammetry for the reduction of oxygen at a microdisk electrode is reported in six commonly used RTILs: [C4mim][NTf2], [C4mpyrr][NTf2], [C4dmim][NTf2], [C4mim][BF4],...
  • publication

    Chemical Reactivity Indices as a Tool for Understanding the Support-Effect in...

    The oxidation of methanol to formaldehyde on supported vanadium oxides is investigated with chemical reactivity indices. Starting from a simple model for isolated vanadium...
  • publication

    Two 3D Porous Lanthanide−Fumarate−Oxalate Frameworks Exhibiting Framework Dyn...

    We present two porous luminescent compounds, [Ln2(fumarate)2(oxalate)(H2O)4]·4H2O (Ln = Eu, Tb), prepared by the hydrothermal method. The materials have 3D framework structure...
  • publication

    Ring-Opening Vibrations of Spherosiloxanes

    The ring-opening vibrations of the spherosilasesquioxanes of the general formula (HSiO3/2)2n, n = 2, 3, 4, etc., are normal modes in which all Si−O stretching and/or O−Si−O...
  • publication

    Addition of Nucleophiles to Silenes. A Theoretical Study of the Effect of Sub...

    The addition of water to nine silenes (H2SiCH2 (1), Me2SiC(SiH3)2 (2), Cl2SiCH2 (3), Me2SiCMe2 (4), (H3Si)2SiCMe2 (5), (H3Si)2SiC(Me)OSiH3 (6), Me2SiC(SiMe3)H (7),...
  • publication

    Carbon Deposition and Hydrocarbon Formation on Group VIII Metal Catalysts

    Carbon formed from CO in CO2 at around 500 °C deposited as nanotubes and encapsulating carbons on a supported Ni catalyst without H2 or as filaments if H2 was present. A...
  • publication

    Photoenhanced Oxidative DNA Cleavage with Non-Heme Iron(II) Complexes

    The DNA cleavage activity of iron(II) complexes of a series of monotopic pentadentate N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine (N4Py)-derived ligands (1−5) was...
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    Computational Exploration of the Mechanism of Alcohol Oxidation by Dioxygen A...

    The mechanism of benzyl alcohol oxidation with dioxygen activated by Cu complexes with biquinolyl (biQ)-containing ligands was investigated using theoretical DFT calculations to...
  • publication

    Alternate Deposition of Oriented Calcite and Amino Acid Layer On Calcite Subs...

    : Material synthesis inspired by novel nacre architecture and mechanism is popular and has attracted more and more attention. In this paper, iso-oriented calcite tablets/layers...
  • publication

    Facile Rotation around SiSi Double Bonds in Tetrakis(trialkylsilyl)disilenes

    Stable disilenes having two different trialkylsilyl substituents [SiASiBSiSiSiASiB ((E)-2 and (Z)-2) and SiA2SiSiSiB2 (3), where SiA = t-BuMe2Si and SiB = i-Pr2MeSi] were...
  • publication

    A Spirodiepoxide-Based Strategy to the A−B Ring System of Pectenotoxin 4

    A synthesis of a pectenotoxin 4 C1−C15 segment is reported. Suitable C1−C7 and C8−C15 segments were prepared, coupled, converted to I and the C3-hydroxy variant, and then...
  • publication

    Reaction Discovery Employing Macrocycles: Transannular Cyclizations of Macroc...

    Macrocyclic bis-lactams have been synthesized by cyclodimerization of homoallylic amino esters employing a Zr(IV)-catalyzed ester-amide exchange protocol. Base-mediated...