1,544 items found

Tags: Chemical Sciences not elsewhere classified Computational Biology

Filter Results
  • dataset

    Intermolecular Activation of Hydrocarbon C−H Bonds Initiated by the Tungsten ...

    trans-CpW(NO)(CH2EMe3)(H)(PMe3) (E = C, Si) complexes can be prepared by the hydrogenation at 1 atm of the appropriate CpW(NO)(CH2EMe3)2 precursor in the presence of a slight...
  • dataset

    r37980778c78--0566313bcc26f4b1d2179f3cc1cd10bb

    Controllable Columnar Organization of Positively Charged Polycyclic Aromatic Hydrocarbons by Choice of Counterions
  • dataset

    r37980778c78--46e4d90fb23c5fcfd6de4a18cce13edf

    The mechanistic details of the Meerwein−Schmidt−Ponndorf−Verley (MSPV) reduction of ketones to the corresponding alcohols were investigated both experimentally and...
  • dataset

    r37980778c78--77decee5d844927dd218e6ce40954484

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...
  • dataset

    On the Nature of the Friction between Nonstick Droplets and Solid Substrates

    The lateral rolling of nonstick water and glycerol droplets deposited on solid substrates inclined at the sliding angles was studied. Droplets deposited on lotuslike...
  • dataset

    Zirconium-Catalyzed Kinetic Resolution of Cyclic Allylic Ethers. An Enantiose...

    Zirconium-Catalyzed Kinetic Resolution of Cyclic Allylic Ethers. An Enantioselective Route to Unsaturated Medium Ring Systems
  • dataset

    r37980778c78--63d348228602793543956144b74b0720

    In this novel motif, scandium atoms define infinite parallel chains of alternate trans-face-sharing cubes and pairs of square antiprisms in which each polyhedron is also...
  • dataset

    r37980778c78--f2d5c817238474c27419e85a80efab71

    Originally published in Optics Express on 15 November 2004 (oe-12-23-5675)
  • dataset

    Tuning the Optical Properties of Aryl-Substituted Dispirofluorene-Indenofluor...

    Two families of positional isomers of dispirofluorene-indenofluorene substituted by phenyl groups at the 2,7-positions of the fluorene moieties present drastically different...
  • dataset

    Metal−Metal Multiple Bonds in Early/Late Heterobimetallics Support Unusual Tr...

    Metal−Metal Multiple Bonds in Early/Late Heterobimetallics Support Unusual Trigonal Monopyramidal Geometries at both Zr and Co
  • dataset

    Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes

    Deprotonation of terminal alkynes is effected by the treatment with tBu3P and B(C6F5)3 to give [tBu3PH][PhCCB(C6F5)3] (1a) and [tBu3PH][RCCB(C6F5)3] (R = nBu 2, tBu 3, Me3Si 4,...
  • dataset

    r37980778c78--a57187364aa6088f98ac332525f9982d

    The transient titanium alkylidyne complex (PNP)Ti⋮CtBu (PNP = N[2-P(CHMe2)2-4-methylphenyl]2-) can readily activate, in some cases regioselectively, the aromatic C−H bond of...
  • dataset

    Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation:  Preference ...

    Multiple X-ray crystallographic and 1H NMR spectroscopic studies demonstrate that 2,6-disubstituted aryl groups exert a strong effect on acyclic conformation, inducing the...
  • dataset

    r37980778c78--b2cfb20019ab04cb333f9d105aa2e84d

    Molecular Charge-Transfer Salt of BEDT−TTF [Bis(ethylenedithio)tetrathiafulvalene] with the Oxalate-Bridged Dimeric Anion [Fe2(C2O4)5]4-
  • dataset

    r37980778c78--796a2c3a5e5564cdc1c241df6048b558

    Molecular Recognition of Pyridine N-Oxides in Water Using Calix[4]pyrrole Receptors
  • dataset

    Structure−Reactivity Correlations for Solid-State Enantioselective Photochemi...

    A prerequisite for the development of structure−reactivity correlations for photoreactive crystalline materials is to have detailed knowledge of the structural properties of the...
  • dataset

    Co-expression of ghrelin and ENaC subunits in fungiform papillae of WT (A,B) ...

    (A) ghrelin and ENaCα are co-localized in a subset of ghrelin-positive cells in WT mice. Arrow, cell expressing both. (B) ghrelin and ENaCγ are co-localized in a subset of...
  • dataset

    Imaging β-Galactosidase Activity in Human Tumor Xenografts and Transgenic Mic...

    BackgroundDetection of enzyme activity or transgene expression offers potential insight into developmental biology, disease progression, and potentially personalized medicine....
  • dataset

    r37980778c78--e100f90c93f9df25be50135493ee3fb5

    Cyclopentadienyl-free disilyl amide complexes [(Me2N)3M(SiButPh2)2]- (M = Zr, 1; Hf, 2 as [Li(THF)4]+ salts), K(18-crown-6)3/2{(Me2N)3M[(Me3Si)2Si-(CH2)2-Si(SiMe3)2]} (M = Zr,...
  • dataset

    α-Po Nets of Copper(II)-<i>trans</i>-1,4-Cyclohexanedicarboxylate Frameworks ...

    Two novel three-dimensional frameworks Cu2(CDC)2(4,4‘-Bipy)·0.5H2CDC·1.25H2O (1) and Cu4(CDC)4(4,4‘-Bpe) (2) (CDC = trans-1,4-cyclohexanedicarboxylate; 4,4‘-Bipy =...