89 items found

Tags: 39999 Chemical Sciences not elsewhere classified Biological Sciences not elsewhere classified Computational Biology

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  • 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

    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

    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--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 =...
  • dataset

    r37980778c78--c42a5732f3efb3d590b8b2bb483113e4

    The palladium-catalyzed domino cyclization of propargyl bromides having two nucleophilic functional groups is described. Treatment of 1,7-diamino-5-bromohept-3-yne derivatives...
  • dataset

    r37980778c78--9c0ccad547d0b599f42d67e222f24a59

    The isolable bishomoaromatic cation containing a heavier Group 14 element, (2,3,5-deloc)-2-phenyl-1,4,5-tris(tri-tert-butylsilyl)-1,4,5-trigermabicyclo[2.1.0]pent-2-en-5-ylium...
  • dataset

    r37980778c78--bc1a7e8debaa1c4e7a35f080b451a419

    Macrocyclic and fused bicyclic dipeptides are complementary motifs for mimicry of different types of β-turn geometry. Macrocyclic dipeptide mimics have served as precursors for...
  • dataset

    Enantioselective Organocatalytic <i>anti</i>-Mannich-Type Reaction of <i>N</i...

    The modified cinchona alkaloid-catalyzed direct Mannich-type reaction of N-unprotected 2-oxindoles with N-Ts-imine was developed to afford anti-3,3-disubstituted 2-oxindoles...
  • dataset

    Synthesis, Structure, and Isomerization of Decapentynylcorannulene:  Enediyne...

    Decapentynylcorannulene (5) is prepared via aryl−alkyne coupling chemistry of decachlorocorannulene and trimethylstannylpentyne. The crystal structure of 5 is compared with the...
  • dataset

    r37980778c78--6aa49dd0ac4cda71eae14d5dde9106fc

    A new layered aluminophosphate, [C6N3H17][Al2(HPO4)(PO4)2] (denoted AlPO−CJ21), has been prepared in an alcoholic system by the use of N-(2-aminoethyl)-piperazine (AEPP) as the...
  • dataset

    r37980778c78--e2c0927e26249e077fd73f4915413d1c

    T-Shaped Molecular Building Units in the Porous Structure of Ag(4,4‘-bpy)·NO3
  • dataset

    Guest Inclusion and Structural Dynamics in 2-D Hydrogen-Bonded Metal−Organic ...

    Guest Inclusion and Structural Dynamics in 2-D Hydrogen-Bonded Metal−Organic Frameworks
  • dataset

    Lewis Acid Catalyzed Allylboration:  Discovery, Optimization, and Application...

    A full account of the development of the first catalytic manifold for the additions of allylboronates to aldehydes is described. The thermal additions (both diastereospecific...
  • dataset

    r37980778c78--50c365d2a65675a683bfab38887f7e88

    We report on helical coordination networks that were prepared using a hexanuclear manganese metallamacrocycle as a helical tecton. We were able to prepare the three-dimensional...
  • dataset

    Mn(II)-Induced Formation and Structural Elucidation of a [3 + 3] Benzene Dime...

    Mn(II)-Induced Formation and Structural Elucidation of a [3 + 3] Benzene Dimer Derivative from m-Phenylenebis(N-tert-butylaminoxyl)
  • dataset

    r37980778c78--c5e3eb44e11eb98f4dc359580585404d

    Synthesis and Characterization of a Borophosphate Anion Containing a Single Vanadium Atom:  [N2C6H14]2VO(PO3OH)4(B3O3OH)·4H2O